Home Cart Sign in  

[ CAS No. 49690-09-7 ] N-tert-Butyl 4-Nitrophenylsulfonamide

Cat. No.: A423688
Chemical Structure| 49690-09-7
Chemical Structure| 49690-09-7
Structure of 49690-09-7 * Storage: Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 250mg $7.00 Inquiry Inquiry
98% 1g $18.00 Inquiry Inquiry
98% 5g $59.00 Inquiry Inquiry
98% 10g $100.00 Inquiry Inquiry

Search after Editing

* Storage: Sealed in dry,Room Temperature

* Shipping: Normal

Quality Control of [ 49690-09-7 ]

Related Doc. of [ 49690-09-7 ]

Alternatived Products of [ 49690-09-7 ]
Product Citations

Product Details of [ 49690-09-7 ]

CAS No. :49690-09-7 MDL No. :MFCD00443679
Formula : C10H14N2O4S Boiling Point : No data available
Linear Structure Formula :- InChI Key :YVSUQTZCHSBFEN-UHFFFAOYSA-N
M.W : 258.29 Pubchem ID :796974
Synonyms :

Calculated chemistry of [ 49690-09-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 65.62
TPSA : 100.37 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.63
Log Po/w (XLOGP3) : 1.7
Log Po/w (WLOGP) : 2.75
Log Po/w (MLOGP) : 0.57
Log Po/w (SILICOS-IT) : -1.03
Consensus Log Po/w : 1.12

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.51
Solubility : 0.799 mg/ml ; 0.00309 mol/l
Class : Soluble
Log S (Ali) : -3.42
Solubility : 0.0975 mg/ml ; 0.000378 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.97
Solubility : 0.277 mg/ml ; 0.00107 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.42

Safety of [ 49690-09-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 49690-09-7 ]

Aryls

Chemical Structure| 374783-78-5

[ 374783-78-5 ]

(S)-2-Methyl-1-((4-nitrophenyl)sulfonyl)aziridine

Similarity: 0.89

Chemical Structure| 1351395-66-8

[ 1351395-66-8 ]

N-[(1S)-2-Hydroxy-1-methylethyl]-2-nitrobenzenesulfonamide

Similarity: 0.86

Chemical Structure| 23530-40-7

[ 23530-40-7 ]

N-Methyl-2-nitrobenzenesulfonamide

Similarity: 0.85

Chemical Structure| 608523-94-0

[ 608523-94-0 ]

N-tert-Butyl 3-Aminophenylsulfonamide

Similarity: 0.84

Chemical Structure| 6325-93-5

[ 6325-93-5 ]

4-Nitrobenzenesulfonamide

Similarity: 0.84

Amines

Chemical Structure| 1351395-66-8

[ 1351395-66-8 ]

N-[(1S)-2-Hydroxy-1-methylethyl]-2-nitrobenzenesulfonamide

Similarity: 0.86

Chemical Structure| 23530-40-7

[ 23530-40-7 ]

N-Methyl-2-nitrobenzenesulfonamide

Similarity: 0.85

Chemical Structure| 608523-94-0

[ 608523-94-0 ]

N-tert-Butyl 3-Aminophenylsulfonamide

Similarity: 0.84

Chemical Structure| 6325-93-5

[ 6325-93-5 ]

4-Nitrobenzenesulfonamide

Similarity: 0.84

Chemical Structure| 73901-01-6

[ 73901-01-6 ]

2,4-Dinitrobenzenesulfonamide

Similarity: 0.80

Sulfamides

Chemical Structure| 374783-78-5

[ 374783-78-5 ]

(S)-2-Methyl-1-((4-nitrophenyl)sulfonyl)aziridine

Similarity: 0.89

Chemical Structure| 1351395-66-8

[ 1351395-66-8 ]

N-[(1S)-2-Hydroxy-1-methylethyl]-2-nitrobenzenesulfonamide

Similarity: 0.86

Chemical Structure| 23530-40-7

[ 23530-40-7 ]

N-Methyl-2-nitrobenzenesulfonamide

Similarity: 0.85

Chemical Structure| 608523-94-0

[ 608523-94-0 ]

N-tert-Butyl 3-Aminophenylsulfonamide

Similarity: 0.84

Chemical Structure| 6325-93-5

[ 6325-93-5 ]

4-Nitrobenzenesulfonamide

Similarity: 0.84

Nitroes

Chemical Structure| 374783-78-5

[ 374783-78-5 ]

(S)-2-Methyl-1-((4-nitrophenyl)sulfonyl)aziridine

Similarity: 0.89

Chemical Structure| 1351395-66-8

[ 1351395-66-8 ]

N-[(1S)-2-Hydroxy-1-methylethyl]-2-nitrobenzenesulfonamide

Similarity: 0.86

Chemical Structure| 23530-40-7

[ 23530-40-7 ]

N-Methyl-2-nitrobenzenesulfonamide

Similarity: 0.85

Chemical Structure| 6325-93-5

[ 6325-93-5 ]

4-Nitrobenzenesulfonamide

Similarity: 0.84

Chemical Structure| 73901-01-6

[ 73901-01-6 ]

2,4-Dinitrobenzenesulfonamide

Similarity: 0.80

; ;