3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide

C13H11ClFNO2S — CID 890373

IUPAC3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H11ClFNO2S/c1-9-3-2-4-10(7-9)16-19(17,18)11-5-6-13(15)12(14)8-11/h2-8,16H,1H3
InChIKeySAYLXKKWYPBLIU-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.59
Rot. Bonds3

About 3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide

3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 890373) has the molecular formula C13H11ClFNO2S and a molecular weight of 299.75 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
PubChem CID890373
Molecular FormulaC13H11ClFNO2S
Molecular Weight299.75 g/mol
Exact Mass299.02
IUPAC Name3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H11ClFNO2S/c1-9-3-2-4-10(7-9)16-19(17,18)11-5-6-13(15)12(14)8-11/h2-8,16H,1H3
InChIKeySAYLXKKWYPBLIU-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide (CID 890373) is 3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is SAYLXKKWYPBLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2S/c1-9-3-2-4-10(7-9)16-19(17,18)11-5-6-13(15)12(14)8-11/h2-8,16H,1H3.
What are the key properties of 3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 299.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 890373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).