3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide

C14H16N2O3S — CID 28544416

IUPAC3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1N
InChIInChI=1S/C14H16N2O3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-14(19-2)12(15)9-11/h3-9,16H,15H2,1-2H3
InChIKeyAEZOKPRUHBWYGV-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.39
Rot. Bonds4

About 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide

3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 28544416) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
PubChem CID28544416
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1N
InChIInChI=1S/C14H16N2O3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-14(19-2)12(15)9-11/h3-9,16H,15H2,1-2H3
InChIKeyAEZOKPRUHBWYGV-UHFFFAOYSA-N
XLogP2.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(2-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28890673
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzenesulfonamide
CID 112985917
4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide
CID 81438669
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
2-methoxy-5-[(2-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 27261659

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide (CID 28544416) is 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is AEZOKPRUHBWYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-14(19-2)12(15)9-11/h3-9,16H,15H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 28544416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).