4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide

C12H8BrClFNO2S — CID 1312319

IUPAC4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrClFNO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-6-3-9(14)7-11(12)15/h1-7,16H
InChIKeyBHBRJWXFRZFCLU-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.04
Rot. Bonds3

About 4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide

4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide (PubChem CID 1312319) has the molecular formula C12H8BrClFNO2S and a molecular weight of 364.62 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide
PubChem CID1312319
Molecular FormulaC12H8BrClFNO2S
Molecular Weight364.62 g/mol
Exact Mass362.91
IUPAC Name4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrClFNO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-6-3-9(14)7-11(12)15/h1-7,16H
InChIKeyBHBRJWXFRZFCLU-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 4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide (CID 1312319) is 4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide?
The InChIKey is BHBRJWXFRZFCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-6-3-9(14)7-11(12)15/h1-7,16H.
What are the key properties of 4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide?
4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide 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 4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 1312319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).