CAS RN: 54129-15-6
N-(3,5-Dichlorophenyl)benzenesulfonaMide
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS54129-15-6
- Purity/Analytical Methods: >99.0%
54129-15-6 / N-(3,5-dichlorophenyl)benzenesulfonamide
Basic Information
CAS
54129-15-6
Multi CAS
No
Molecular Formula
C12H9CL2NO2S
Molecular Weight
302.200000
Exact Mass
300.973105
InChI
InChI=1S/C12H9Cl2NO2S/c13-9-6-10(14)8-11(7-9)15-18(16,17)12-4-2-1-3-5-12/h1-8,15H
InChIKey
HMKZVAZQKOKXRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.71
TPSA
46.17
LogP / Solubility
WLOGP
3.79
MLOGP
3.35
XLogP3
3.8
Consensus LogP
3.65
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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