4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

C17H19FN2O2S — CID 2814221

IUPAC4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c18-14-8-10-15(11-9-14)23(21,22)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h2-3,6-11,19H,1,4-5,12-13H2
InChIKeyNHMFOMAFQOAROG-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.62
Rot. Bonds4

About 4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 2814221) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID2814221
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c18-14-8-10-15(11-9-14)23(21,22)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h2-3,6-11,19H,1,4-5,12-13H2
InChIKeyNHMFOMAFQOAROG-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.62
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-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (CID 2814221) is 4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is NHMFOMAFQOAROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c18-14-8-10-15(11-9-14)23(21,22)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h2-3,6-11,19H,1,4-5,12-13H2.
What are the key properties of 4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2814221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).