N-(4-bromophenyl)-4-fluorobenzenesulfonamide

C12H9BrFNO2S — CID 711075

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

About N-(4-bromophenyl)-4-fluorobenzenesulfonamide

N-(4-bromophenyl)-4-fluorobenzenesulfonamide (PubChem CID 711075) has the molecular formula C12H9BrFNO2S and a molecular weight of 330.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-fluorobenzenesulfonamide
PubChem CID711075
Molecular FormulaC12H9BrFNO2S
Molecular Weight330.18 g/mol
Exact Mass328.95
IUPAC NameN-(4-bromophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C12H9BrFNO2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H
InChIKeyWUDJUFSUSQDVAM-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
N-(4-Bromophenyl)methanesulfonamide
CID 706841
ST50686756
CID 1129664
3-amino-N-(4-bromophenyl)benzene-1-sulfonamide
CID 3568545
N-(4-bromophenyl)-4-chlorobenzenesulfonamide
CID 598509
4-amino-N-(2,4-difluorophenyl)benzene-1-sulfonamide
CID 2781278
1-(4-Bromophenyl)-2-(phenylsulfonyl)hydrazine
CID 3325609

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-4-fluorobenzenesulfonamide (CID 711075) is N-(4-bromophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is WUDJUFSUSQDVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H.
What are the key properties of N-(4-bromophenyl)-4-fluorobenzenesulfonamide?
N-(4-bromophenyl)-4-fluorobenzenesulfonamide 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 N-(4-bromophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 711075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).