4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide

C19H21FN2O3S — CID 2349750

IUPAC4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-10-12-22(13-11-14)19(23)17-4-2-3-5-18(17)21-26(24,25)16-8-6-15(20)7-9-16/h2-9,14,21H,10-13H2,1H3
InChIKeyICAGPMIGHNCOJB-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.50
Rot. Bonds4

About 4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide

4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 2349750) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID2349750
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-10-12-22(13-11-14)19(23)17-4-2-3-5-18(17)21-26(24,25)16-8-6-15(20)7-9-16/h2-9,14,21H,10-13H2,1H3
InChIKeyICAGPMIGHNCOJB-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.50
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-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 2349750) is 4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is CC1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is ICAGPMIGHNCOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-10-12-22(13-11-14)19(23)17-4-2-3-5-18(17)21-26(24,25)16-8-6-15(20)7-9-16/h2-9,14,21H,10-13H2,1H3.
What are the key properties of 4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
4-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 3.50, 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-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2349750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).