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

C15H18N2O3S — CID 79961698

IUPAC5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H18N2O3S/c1-10-5-4-6-12(7-10)17-21(18,19)15-9-13(16)11(2)8-14(15)20-3/h4-9,17H,16H2,1-3H3
InChIKeyIMNXXTXKNCRRIV-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.70
Rot. Bonds4

About 5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide

5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 79961698) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID79961698
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H18N2O3S/c1-10-5-4-6-12(7-10)17-21(18,19)15-9-13(16)11(2)8-14(15)20-3/h4-9,17H,16H2,1-3H3
InChIKeyIMNXXTXKNCRRIV-UHFFFAOYSA-N
XLogP2.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-methoxy-4-methyl-N-(3-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

2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 81397536
5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587489
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 110759298
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 79961698) is 5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)Nc1cccc(C)c1.
What is the InChIKey of 5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is IMNXXTXKNCRRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-5-4-6-12(7-10)17-21(18,19)15-9-13(16)11(2)8-14(15)20-3/h4-9,17H,16H2,1-3H3.
What are the key properties of 5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 79961698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).