N-(2-bromophenyl)-4-fluorobenzenesulfonamide

C12H9BrFNO2S — CID 835592

IUPACN-(2-bromophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C12H9BrFNO2S/c13-11-3-1-2-4-12(11)15-18(16,17)10-7-5-9(14)6-8-10/h1-8,15H
InChIKeyVSYTXKGLLHJKHE-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.39
Rot. Bonds3

About N-(2-bromophenyl)-4-fluorobenzenesulfonamide

N-(2-bromophenyl)-4-fluorobenzenesulfonamide (PubChem CID 835592) has the molecular formula C12H9BrFNO2S and a molecular weight of 330.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-fluorobenzenesulfonamide
PubChem CID835592
Molecular FormulaC12H9BrFNO2S
Molecular Weight330.18 g/mol
Exact Mass328.95
IUPAC NameN-(2-bromophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C12H9BrFNO2S/c13-11-3-1-2-4-12(11)15-18(16,17)10-7-5-9(14)6-8-10/h1-8,15H
InChIKeyVSYTXKGLLHJKHE-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-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide
CID 65480204
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231
N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63236123
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 26951674
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 8505367
4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31578755
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-4-fluorobenzenesulfonamide (CID 835592) is N-(2-bromophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of N-(2-bromophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is VSYTXKGLLHJKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2S/c13-11-3-1-2-4-12(11)15-18(16,17)10-7-5-9(14)6-8-10/h1-8,15H.
What are the key properties of N-(2-bromophenyl)-4-fluorobenzenesulfonamide?
N-(2-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-(2-bromophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 835592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).