CAS RN: 57165-06-7
N-(4-Amino-3-methoxyphenyl)methanesulfonamide
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS57165-06-7
- Purity/Analytical Methods: >99.0%
57165-06-7 / N-(4-amino-3-methoxyphenyl)methanesulfonamide
Basic Information
CAS
57165-06-7
Multi CAS
Yes
Molecular Formula
C8H12N2O3S
Molecular Weight
216.260000
Exact Mass
216.056863
InChI
InChI=1S/C8H12N2O3S/c1-13-8-5-6(3-4-7(8)9)10-14(2,11)12/h3-5,10H,9H2,1-2H3
InChIKey
JBEUZJVHYAAMNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.87
TPSA
81.42
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.2
Consensus LogP
0.47
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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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