N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide

C12H8BrClFNO2S — CID 7938336

IUPACN-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1Cl)c1ccccc1F
InChIInChI=1S/C12H8BrClFNO2S/c13-8-5-6-11(9(14)7-8)16-19(17,18)12-4-2-1-3-10(12)15/h1-7,16H
InChIKeyLQLUEBVXCGXRKS-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.04
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide

N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide (PubChem CID 7938336) has the molecular formula C12H8BrClFNO2S and a molecular weight of 364.62 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide
PubChem CID7938336
Molecular FormulaC12H8BrClFNO2S
Molecular Weight364.62 g/mol
Exact Mass362.91
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1Cl)c1ccccc1F
InChIInChI=1S/C12H8BrClFNO2S/c13-8-5-6-11(9(14)7-8)16-19(17,18)12-4-2-1-3-10(12)15/h1-7,16H
InChIKeyLQLUEBVXCGXRKS-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-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide (CID 7938336) is N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1Cl)c1ccccc1F.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is LQLUEBVXCGXRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO2S/c13-8-5-6-11(9(14)7-8)16-19(17,18)12-4-2-1-3-10(12)15/h1-7,16H.
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide?
N-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide 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-(4-bromo-2-chlorophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 7938336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).