4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide

C15H16BrNO3S — CID 60534380

IUPAC4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1NS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H16BrNO3S/c1-10-4-7-14(15(8-10)20-3)17-21(18,19)12-5-6-13(16)11(2)9-12/h4-9,17H,1-3H3
InChIKeyPHGMBWCBUZEUIX-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.88
Rot. Bonds4

About 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide

4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide (PubChem CID 60534380) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
PubChem CID60534380
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1NS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H16BrNO3S/c1-10-4-7-14(15(8-10)20-3)17-21(18,19)12-5-6-13(16)11(2)9-12/h4-9,17H,1-3H3
InChIKeyPHGMBWCBUZEUIX-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide 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-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
(2-methoxy-4-methylphenyl) 4-bromo-3-methylbenzenesulfonate
CID 30327307
methyl 4-[(4-bromo-3-methylphenyl)sulfonylamino]-3-methylbenzoate
CID 24651251
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 39845518
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 47038316
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
methyl 3-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 2696840
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide (CID 60534380) is 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide is COc1cc(C)ccc1NS(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is PHGMBWCBUZEUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-10-4-7-14(15(8-10)20-3)17-21(18,19)12-5-6-13(16)11(2)9-12/h4-9,17H,1-3H3.
What are the key properties of 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide?
4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 60534380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).