N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide

C12H8BrClFNO2S — CID 28939218

IUPACN-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C12H8BrClFNO2S/c13-11-7-9(15)3-6-12(11)16-19(17,18)10-4-1-8(14)2-5-10/h1-7,16H
InChIKeyJTVAEJGJCJVOIS-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.04
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide

N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide (PubChem CID 28939218) has the molecular formula C12H8BrClFNO2S and a molecular weight of 364.62 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
PubChem CID28939218
Molecular FormulaC12H8BrClFNO2S
Molecular Weight364.62 g/mol
Exact Mass362.91
IUPAC NameN-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C12H8BrClFNO2S/c13-11-7-9(15)3-6-12(11)16-19(17,18)10-4-1-8(14)2-5-10/h1-7,16H
InChIKeyJTVAEJGJCJVOIS-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide (CID 28939218) is N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1Br)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide?
The InChIKey is JTVAEJGJCJVOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO2S/c13-11-7-9(15)3-6-12(11)16-19(17,18)10-4-1-8(14)2-5-10/h1-7,16H.
What are the key properties of N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide?
N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide has a molecular weight of 364.62 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 28939218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).