5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide

C12H8BrClFNO2S — CID 174947290

IUPAC5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C12H8BrClFNO2S/c13-8-5-10(7-1-3-9(15)4-2-7)12(14)11(6-8)19(16,17)18/h1-6H,(H2,16,17,18)
InChIKeyXZPGTFUCHSKDND-UHFFFAOYSA-N
MW364.62 g/mol
LogP3.56
Rot. Bonds2

About 5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide

5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide (PubChem CID 174947290) has the molecular formula C12H8BrClFNO2S and a molecular weight of 364.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide
PubChem CID174947290
Molecular FormulaC12H8BrClFNO2S
Molecular Weight364.62 g/mol
Exact Mass362.91
IUPAC Name5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C12H8BrClFNO2S/c13-8-5-10(7-1-3-9(15)4-2-7)12(14)11(6-8)19(16,17)18/h1-6H,(H2,16,17,18)
InChIKeyXZPGTFUCHSKDND-UHFFFAOYSA-N
XLogP3.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-4-fluoro-3-phenylbenzenesulfonamide
CID 164822546
2-Chloro-3-(2-fluorophenyl)benzenesulfonamide
CID 175769817
3-(5-Bromo-2-chlorophenyl)benzenesulfonamide
CID 142783754
5-Bromo-2-chloro-3-methylbenzenesulfonamide
CID 131537671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide (CID 174947290) is 5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is XZPGTFUCHSKDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO2S/c13-8-5-10(7-1-3-9(15)4-2-7)12(14)11(6-8)19(16,17)18/h1-6H,(H2,16,17,18).
What are the key properties of 5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide?
5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 364.62 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 174947290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).