CAS RN: 24962-75-2

N1,N1-DIMETHYL-3-AMINO-4-HYDROXYBENZENE-1-SULFONAMIDE

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  • Product code: starshine_CAS24962-75-2
  • Purity/Analytical Methods: >99.0%
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24962-75-2 / 3-amino-4-hydroxy-N,N-dimethylbenzenesulfonamide

Standard CAS: 24962-75-2 Multi CAS: No

Basic Information

CAS
24962-75-2
Multi CAS
No
Molecular Formula
C8H12N2O3S
Molecular Weight
216.260000
Exact Mass
216.056863
SMILES
CN(C)S(=O)(=O)C1=CC(=C(C=C1)O)N
InChI
InChI=1S/C8H12N2O3S/c1-10(2)14(12,13)6-3-4-8(11)7(9)5-6/h3-5,11H,9H2,1-2H3
InChIKey
BLKRLPPJSAMUNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.39
TPSA
83.63

LogP / Solubility

WLOGP
0.22
MLOGP
0.2
XLogP3
0.3
Consensus LogP
0.24
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.88

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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