3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C13H12F2N2O2S — CID 2432838

IUPAC3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O2S/c14-12-5-4-11(9-13(12)15)20(18,19)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,17H,6,8H2
InChIKeyFPJLXLGLJOKTPL-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.88
Rot. Bonds5

About 3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 2432838) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID2432838
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O2S/c14-12-5-4-11(9-13(12)15)20(18,19)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,17H,6,8H2
InChIKeyFPJLXLGLJOKTPL-UHFFFAOYSA-N
XLogP1.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 2432838) is 3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccn1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is FPJLXLGLJOKTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c14-12-5-4-11(9-13(12)15)20(18,19)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,17H,6,8H2.
What are the key properties of 3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2432838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).