CAS RN: 56542-65-5
3-Cyano-N-phenylbenzenesulfonamide
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.20260310 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56542-65-5
- Purity/Analytical Methods: >99.0%
56542-65-5 / 3-cyano-N-phenylbenzenesulfonamide
Basic Information
CAS
56542-65-5
Multi CAS
No
Molecular Formula
C13H10N2O2S
Molecular Weight
258.300000
Exact Mass
258.046299
InChI
InChI=1S/C13H10N2O2S/c14-10-11-5-4-8-13(9-11)18(16,17)15-12-6-2-1-3-7-12/h1-9,15H
InChIKey
KYMLGUHTWJQVFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.41
TPSA
69.96
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
