4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide

C13H10BrCl2NO2S2 — CID 60640706

IUPAC4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2S2/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-9(15)6-8(14)7-10(13)16/h2-7,17H,1H3
InChIKeyHINNWCAUJMLNIS-UHFFFAOYSA-N
MW427.17 g/mol
LogP5.28
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 60640706) has the molecular formula C13H10BrCl2NO2S2 and a molecular weight of 427.17 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID60640706
Molecular FormulaC13H10BrCl2NO2S2
Molecular Weight427.17 g/mol
Exact Mass424.87
IUPAC Name4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2S2/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-9(15)6-8(14)7-10(13)16/h2-7,17H,1H3
InChIKeyHINNWCAUJMLNIS-UHFFFAOYSA-N
XLogP5.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.17
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)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-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
CID 47104330
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 3496622
4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide
CID 60640782
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 35507846
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202
4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60640804
2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 47309798
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 60640706) is 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide is CSc1ccccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is HINNWCAUJMLNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S2/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-9(15)6-8(14)7-10(13)16/h2-7,17H,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 427.17 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 60640706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).