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

C12H9ClFNO2S — CID 889615

IUPAC3-chloro-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClFNO2S/c13-9-4-3-5-10(8-9)18(16,17)15-12-7-2-1-6-11(12)14/h1-8,15H
InChIKeyYWSAQTXYJAHTIK-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.28
Rot. Bonds3

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

3-chloro-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 889615) has the molecular formula C12H9ClFNO2S and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-chloro-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID889615
Molecular FormulaC12H9ClFNO2S
Molecular Weight285.73 g/mol
Exact Mass285.00
IUPAC Name3-chloro-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClFNO2S/c13-9-4-3-5-10(8-9)18(16,17)15-12-7-2-1-6-11(12)14/h1-8,15H
InChIKeyYWSAQTXYJAHTIK-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-fluorophenyl)benzenesulfonamide (CID 889615) is 3-chloro-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1F)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is YWSAQTXYJAHTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2S/c13-9-4-3-5-10(8-9)18(16,17)15-12-7-2-1-6-11(12)14/h1-8,15H.
What are the key properties of 3-chloro-N-(2-fluorophenyl)benzenesulfonamide?
3-chloro-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 285.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 889615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).