4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide

C13H10BrClFNO2S — CID 97161969

IUPAC4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H10BrClFNO2S/c1-8-6-9(15)2-5-13(8)17-20(18,19)10-3-4-11(14)12(16)7-10/h2-7,17H,1H3
InChIKeyUSVFAKHXQXZQSO-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.35
Rot. Bonds3

About 4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide

4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide (PubChem CID 97161969) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
PubChem CID97161969
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC Name4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H10BrClFNO2S/c1-8-6-9(15)2-5-13(8)17-20(18,19)10-3-4-11(14)12(16)7-10/h2-7,17H,1H3
InChIKeyUSVFAKHXQXZQSO-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-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide (CID 97161969) is 4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is USVFAKHXQXZQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c1-8-6-9(15)2-5-13(8)17-20(18,19)10-3-4-11(14)12(16)7-10/h2-7,17H,1H3.
What are the key properties of 4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide 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-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 97161969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).