4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C13H13FN2O2S — CID 688002

IUPAC4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2S/c14-12-1-3-13(4-2-12)19(17,18)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2
InChIKeyJBJDEHVHLITWOB-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.74
Rot. Bonds5

About 4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 688002) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID688002
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2S/c14-12-1-3-13(4-2-12)19(17,18)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2
InChIKeyJBJDEHVHLITWOB-UHFFFAOYSA-N
XLogP1.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 688002) is 4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is JBJDEHVHLITWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c14-12-1-3-13(4-2-12)19(17,18)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2.
What are the key properties of 4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 688002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).