2-chloro-4-fluoro-3-phenylbenzenesulfonamide

C12H9ClFNO2S — CID 164822546

IUPAC2-chloro-4-fluoro-3-phenylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(-c2ccccc2)c1Cl
InChIInChI=1S/C12H9ClFNO2S/c13-12-10(18(15,16)17)7-6-9(14)11(12)8-4-2-1-3-5-8/h1-7H,(H2,15,16,17)
InChIKeyWTGVSRABSJTVDP-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.79
Rot. Bonds2

About 2-chloro-4-fluoro-3-phenylbenzenesulfonamide

2-chloro-4-fluoro-3-phenylbenzenesulfonamide (PubChem CID 164822546) has the molecular formula C12H9ClFNO2S and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-chloro-4-fluoro-3-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-3-phenylbenzenesulfonamide
PubChem CID164822546
Molecular FormulaC12H9ClFNO2S
Molecular Weight285.73 g/mol
Exact Mass285.00
IUPAC Name2-chloro-4-fluoro-3-phenylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(-c2ccccc2)c1Cl
InChIInChI=1S/C12H9ClFNO2S/c13-12-10(18(15,16)17)7-6-9(14)11(12)8-4-2-1-3-5-8/h1-7H,(H2,15,16,17)
InChIKeyWTGVSRABSJTVDP-UHFFFAOYSA-N
XLogP2.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-Chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 9906472
2-(2-chlorophenyl)-N-methylbenzenesulfonamide
CID 137645907
2-Chloro-3-methylbenzene-1-sulfonamide
CID 71433015
2-(4-Chlorophenyl)benzene-1-sulfonamide
CID 123409687
2-(3-Chlorophenyl)benzene-1-sulfonamide
CID 137701479
2-Chloro-3,5-dimethyl-benzenesulfonamide
CID 458379
4-[2-(4-Chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
CID 22746780
4-[2-(3-Chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
CID 22746795
4-[2-(4-Chloro-2-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917394
4-[2-(4-Chloro-3-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917580
4-[2-(2-Chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917728
2-[2-(3-Chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 23033161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-3-phenylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-3-phenylbenzenesulfonamide (CID 164822546) is 2-chloro-4-fluoro-3-phenylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-3-phenylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-3-phenylbenzenesulfonamide is NS(=O)(=O)c1ccc(F)c(-c2ccccc2)c1Cl.
What is the InChIKey of 2-chloro-4-fluoro-3-phenylbenzenesulfonamide?
The InChIKey is WTGVSRABSJTVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2S/c13-12-10(18(15,16)17)7-6-9(14)11(12)8-4-2-1-3-5-8/h1-7H,(H2,15,16,17).
What are the key properties of 2-chloro-4-fluoro-3-phenylbenzenesulfonamide?
2-chloro-4-fluoro-3-phenylbenzenesulfonamide has a molecular weight of 285.73 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-3-phenylbenzenesulfonamide is sourced from PubChem (CID 164822546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).