4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide

C14H15BrN2O3S — CID 81442035

IUPAC4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cc(Br)ccc2C)ccc1N
InChIInChI=1S/C14H15BrN2O3S/c1-9-3-4-10(15)7-13(9)17-21(18,19)11-5-6-12(16)14(8-11)20-2/h3-8,17H,16H2,1-2H3
InChIKeyGNWJAJKPNYGNMU-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.15
Rot. Bonds4

About 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide

4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide (PubChem CID 81442035) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
PubChem CID81442035
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cc(Br)ccc2C)ccc1N
InChIInChI=1S/C14H15BrN2O3S/c1-9-3-4-10(15)7-13(9)17-21(18,19)11-5-6-12(16)14(8-11)20-2/h3-8,17H,16H2,1-2H3
InChIKeyGNWJAJKPNYGNMU-UHFFFAOYSA-N
XLogP3.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide 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-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide
CID 81438669
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 82845895
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
4-amino-N-(2-chloro-5-fluorophenyl)-3-methoxybenzenesulfonamide
CID 107526733
4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 81438403
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide (CID 81442035) is 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2cc(Br)ccc2C)ccc1N.
What is the InChIKey of 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide?
The InChIKey is GNWJAJKPNYGNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-9-3-4-10(15)7-13(9)17-21(18,19)11-5-6-12(16)14(8-11)20-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide?
4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81442035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).