CAS RN: 56768-53-7
N-(4-cyanophenyl)-4-methylbenzenesulfonamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250221 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS56768-53-7
- Purity/Analytical Methods: >99.0%
56768-53-7 / N-(4-cyanophenyl)-4-methylbenzenesulfonamide
Basic Information
CAS
56768-53-7
Multi CAS
Yes
Molecular Formula
C14H12N2O2S
Molecular Weight
272.320000
Exact Mass
272.061949
InChI
InChI=1S/C14H12N2O2S/c1-11-2-8-14(9-3-11)19(17,18)16-13-6-4-12(10-15)5-7-13/h2-9,16H,1H3
InChIKey
HQQVYEMQVKDXJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.14
TPSA
69.96
LogP / Solubility
WLOGP
2.67
MLOGP
2.36
XLogP3
2.5
Consensus LogP
2.51
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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