4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide

C13H10BrF2NO2S — CID 104705310

IUPAC4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(F)c1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-3-2-4-11(15)13(8)17-20(18,19)9-5-6-10(14)12(16)7-9/h2-7,17H,1H3
InChIKeyKTXFKDBFGVYERS-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide

4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide (PubChem CID 104705310) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
PubChem CID104705310
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC Name4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(F)c1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-3-2-4-11(15)13(8)17-20(18,19)9-5-6-10(14)12(16)7-9/h2-7,17H,1H3
InChIKeyKTXFKDBFGVYERS-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide (CID 104705310) is 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide is Cc1cccc(F)c1NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide?
The InChIKey is KTXFKDBFGVYERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-3-2-4-11(15)13(8)17-20(18,19)9-5-6-10(14)12(16)7-9/h2-7,17H,1H3.
What are the key properties of 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide?
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide has a molecular weight of 362.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 104705310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).