4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide

C12H8BrF2NO2S — CID 97161985

IUPAC4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H8BrF2NO2S/c13-11-5-4-10(7-12(11)15)19(17,18)16-9-3-1-2-8(14)6-9/h1-7,16H
InChIKeyWRMWLZQGGIZNJM-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.53
Rot. Bonds3

About 4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide

4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide (PubChem CID 97161985) has the molecular formula C12H8BrF2NO2S and a molecular weight of 348.17 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
PubChem CID97161985
Molecular FormulaC12H8BrF2NO2S
Molecular Weight348.17 g/mol
Exact Mass346.94
IUPAC Name4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H8BrF2NO2S/c13-11-5-4-10(7-12(11)15)19(17,18)16-9-3-1-2-8(14)6-9/h1-7,16H
InChIKeyWRMWLZQGGIZNJM-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
3-fluoro-N-(3-fluorophenyl)-4-nitrobenzenesulfonamide
CID 82813223
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 18283976
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide (CID 97161985) is 4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(F)c1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is WRMWLZQGGIZNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2S/c13-11-5-4-10(7-12(11)15)19(17,18)16-9-3-1-2-8(14)6-9/h1-7,16H.
What are the key properties of 4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide has a molecular weight of 348.17 g/mol, XLogP of 3.53, 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-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 97161985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).