2-bromo-4-fluoro-N-phenylbenzenesulfonamide

C12H9BrFNO2S — CID 47257422

IUPAC2-bromo-4-fluoro-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H9BrFNO2S/c13-11-8-9(14)6-7-12(11)18(16,17)15-10-4-2-1-3-5-10/h1-8,15H
InChIKeyRWYIRIREJSKFMX-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.39
Rot. Bonds3

About 2-bromo-4-fluoro-N-phenylbenzenesulfonamide

2-bromo-4-fluoro-N-phenylbenzenesulfonamide (PubChem CID 47257422) has the molecular formula C12H9BrFNO2S and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-phenylbenzenesulfonamide
PubChem CID47257422
Molecular FormulaC12H9BrFNO2S
Molecular Weight330.18 g/mol
Exact Mass328.95
IUPAC Name2-bromo-4-fluoro-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H9BrFNO2S/c13-11-8-9(14)6-7-12(11)18(16,17)15-10-4-2-1-3-5-10/h1-8,15H
InChIKeyRWYIRIREJSKFMX-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-N-phenylbenzenesulfonamide
CID 67559
4'-Bromobenzenesulfonanilide
CID 293101
Benzenesulfonanilide
CID 74296
4-Amino-N-(4-fluorophenyl)benzenesulfonamide
CID 200282
4-(4-Bromobenzene-1-sulfonyl)aniline
CID 246562
N-(4-fluorophenyl)benzenesulfonamide
CID 295229
ST50686756
CID 1129664
3-amino-N-(4-bromophenyl)benzene-1-sulfonamide
CID 3568545
4-amino-N-(2,4-difluorophenyl)benzene-1-sulfonamide
CID 2781278
1-(4-Bromophenyl)-2-(phenylsulfonyl)hydrazine
CID 3325609
N-(2-bromo-4-sulfamoyl-phenyl)-2,3,4,5,6-pentafluoro-benzenesulfonamide
CID 10814610
3',5'-Difluorosulfanilanilide
CID 457121

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-phenylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-phenylbenzenesulfonamide (CID 47257422) is 2-bromo-4-fluoro-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-phenylbenzenesulfonamide?
The InChIKey is RWYIRIREJSKFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2S/c13-11-8-9(14)6-7-12(11)18(16,17)15-10-4-2-1-3-5-10/h1-8,15H.
What are the key properties of 2-bromo-4-fluoro-N-phenylbenzenesulfonamide?
2-bromo-4-fluoro-N-phenylbenzenesulfonamide has a molecular weight of 330.18 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 47257422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).