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

C12H9BrFNO2S — CID 3447682

IUPAC4-bromo-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrFNO2S/c13-9-1-7-12(8-2-9)18(16,17)15-11-5-3-10(14)4-6-11/h1-8,15H
InChIKeyWCELWULYOGBYHZ-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.39
Rot. Bonds3

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

4-bromo-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 3447682) has the molecular formula C12H9BrFNO2S and a molecular weight of 330.18 g/mol. Its IUPAC name is 4-bromo-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID3447682
Molecular FormulaC12H9BrFNO2S
Molecular Weight330.18 g/mol
Exact Mass328.95
IUPAC Name4-bromo-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrFNO2S/c13-9-1-7-12(8-2-9)18(16,17)15-11-5-3-10(14)4-6-11/h1-8,15H
InChIKeyWCELWULYOGBYHZ-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,N'-(1,4-Phenylene)bis(4-bromobenzenesulfonamide)
CID 5235003
N-(2-bromo-4-sulfamoyl-phenyl)-2,3,4,5,6-pentafluoro-benzenesulfonamide
CID 10814610

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-fluorophenyl)benzenesulfonamide (CID 3447682) is 4-bromo-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is WCELWULYOGBYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2S/c13-9-1-7-12(8-2-9)18(16,17)15-11-5-3-10(14)4-6-11/h1-8,15H.
What are the key properties of 4-bromo-N-(4-fluorophenyl)benzenesulfonamide?
4-bromo-N-(4-fluorophenyl)benzenesulfonamide 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 4-bromo-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 3447682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).