CAS RN: 2015-19-2
5-Amino-2-chlorobenzenesulfonamide
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS2015-19-2
- Purity/Analytical Methods: >99.0%
2015-19-2 / 5-amino-2-chlorobenzenesulfonamide
Basic Information
CAS
2015-19-2
Multi CAS
No
Molecular Formula
C6H7ClN2O2S
Molecular Weight
206.650000
Exact Mass
205.991676
SMILES
C1=CC(=C(C=C1N)S(=O)(=O)N)Cl
InChI
InChI=1S/C6H7ClN2O2S/c7-5-2-1-4(8)3-6(5)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKey
FDDSVQLOFIBCDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.24
TPSA
86.18
LogP / Solubility
WLOGP
0.57
MLOGP
0.5
XLogP3
0.1
Consensus LogP
0.39
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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