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

C15H18N2O3S — CID 81440430

IUPAC4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)c2ccccc2C)ccc1N
InChIInChI=1S/C15H18N2O3S/c1-11-6-4-5-7-14(11)17(2)21(18,19)12-8-9-13(16)15(10-12)20-3/h4-10H,16H2,1-3H3
InChIKeyLZXFOJOUMXEAFM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.41
Rot. Bonds4

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

4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 81440430) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID81440430
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)c2ccccc2C)ccc1N
InChIInChI=1S/C15H18N2O3S/c1-11-6-4-5-7-14(11)17(2)21(18,19)12-8-9-13(16)15(10-12)20-3/h4-10H,16H2,1-3H3
InChIKeyLZXFOJOUMXEAFM-UHFFFAOYSA-N
XLogP2.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-methoxy-N-methyl-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

4-amino-3-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 81440805
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
2-amino-N,6-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62002027
4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide
CID 34207194
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
N-(6-methoxy-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557676
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide
CID 104551002
4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 81440806
4-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001466
5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001461
5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001646

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide (CID 81440430) is 4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide is COc1cc(S(=O)(=O)N(C)c2ccccc2C)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is LZXFOJOUMXEAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-6-4-5-7-14(11)17(2)21(18,19)12-8-9-13(16)15(10-12)20-3/h4-10H,16H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 81440430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).