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

C12H9ClFNO2S — CID 142781248

IUPAC3-(2-chloro-4-fluorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C12H9ClFNO2S/c13-12-7-9(14)4-5-11(12)8-2-1-3-10(6-8)18(15,16)17/h1-7H,(H2,15,16,17)
InChIKeyIVJJKFYEOZTFOP-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.79
Rot. Bonds2

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

3-(2-chloro-4-fluorophenyl)benzenesulfonamide (PubChem CID 142781248) has the molecular formula C12H9ClFNO2S and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)benzenesulfonamide
PubChem CID142781248
Molecular FormulaC12H9ClFNO2S
Molecular Weight285.73 g/mol
Exact Mass285.00
IUPAC Name3-(2-chloro-4-fluorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C12H9ClFNO2S/c13-12-7-9(14)4-5-11(12)8-2-1-3-10(6-8)18(15,16)17/h1-7H,(H2,15,16,17)
InChIKeyIVJJKFYEOZTFOP-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)benzenesulfonamide (CID 142781248) is 3-(2-chloro-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(F)cc2Cl)c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)benzenesulfonamide?
The InChIKey is IVJJKFYEOZTFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2S/c13-12-7-9(14)4-5-11(12)8-2-1-3-10(6-8)18(15,16)17/h1-7H,(H2,15,16,17).
What are the key properties of 3-(2-chloro-4-fluorophenyl)benzenesulfonamide?
3-(2-chloro-4-fluorophenyl)benzenesulfonamide 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 3-(2-chloro-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 142781248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).