CAS RN: 102-65-8
N-(5-CHLORO-3-PYRAZINE)-4-AMINOBENZENESULFONAININO
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS102-65-8
- Purity/Analytical Methods: >99.0%
102-65-8 / 4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide
Sulfaclozine | Sulfaclozina | Sulfaclozinum
Basic Information
CAS
102-65-8
Multi CAS
Yes
Molecular Formula
C10H9ClN4O2S
Molecular Weight
284.720000
Exact Mass
284.013474
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl
InChI
InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
InChIKey
QKLPUVXBJHRFQZ-UHFFFAOYSA-N
Synonyms
Sulfaclozine
Sulfaclozina
Sulfaclozinum
Sulfatyf
ESB-3
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.7
TPSA
97.97
LogP / Solubility
WLOGP
1.51
MLOGP
1.34
XLogP3
0.9
Consensus LogP
1.25
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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