4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide

C14H13BrClNO4S — CID 7514398

IUPAC4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(OC)c1
InChIInChI=1S/C14H13BrClNO4S/c1-20-10-4-5-12(13(8-10)21-2)17-22(18,19)14-6-3-9(15)7-11(14)16/h3-8,17H,1-2H3
InChIKeyUYSIBBMUEJOFJF-UHFFFAOYSA-N
MW406.69 g/mol
LogP3.92
Rot. Bonds5

About 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide

4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide (PubChem CID 7514398) has the molecular formula C14H13BrClNO4S and a molecular weight of 406.69 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
PubChem CID7514398
Molecular FormulaC14H13BrClNO4S
Molecular Weight406.69 g/mol
Exact Mass404.94
IUPAC Name4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(OC)c1
InChIInChI=1S/C14H13BrClNO4S/c1-20-10-4-5-12(13(8-10)21-2)17-22(18,19)14-6-3-9(15)7-11(14)16/h3-8,17H,1-2H3
InChIKeyUYSIBBMUEJOFJF-UHFFFAOYSA-N
XLogP3.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)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

N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 22515844
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide (CID 7514398) is 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(OC)c1.
What is the InChIKey of 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is UYSIBBMUEJOFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO4S/c1-20-10-4-5-12(13(8-10)21-2)17-22(18,19)14-6-3-9(15)7-11(14)16/h3-8,17H,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 406.69 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 7514398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).