4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

C13H10BrClFNO2S — CID 26979434

IUPAC4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(F)c1
InChIInChI=1S/C13H10BrClFNO2S/c1-8-2-4-12(11(16)6-8)17-20(18,19)13-5-3-9(14)7-10(13)15/h2-7,17H,1H3
InChIKeyFUOVPSQBDWOQAB-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.35
Rot. Bonds3

About 4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 26979434) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID26979434
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC Name4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(F)c1
InChIInChI=1S/C13H10BrClFNO2S/c1-8-2-4-12(11(16)6-8)17-20(18,19)13-5-3-9(14)7-10(13)15/h2-7,17H,1H3
InChIKeyFUOVPSQBDWOQAB-UHFFFAOYSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
2-amino-5-bromo-N-(2-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 62162619
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide (CID 26979434) is 4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(F)c1.
What is the InChIKey of 4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is FUOVPSQBDWOQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c1-8-2-4-12(11(16)6-8)17-20(18,19)13-5-3-9(14)7-10(13)15/h2-7,17H,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 378.65 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 26979434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).