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

C19H21FN2O3S — CID 2922176

IUPAC4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-14-6-4-5-13-22(14)19(23)17-7-2-3-8-18(17)21-26(24,25)16-11-9-15(20)10-12-16/h2-3,7-12,14,21H,4-6,13H2,1H3
InChIKeyNIWFWRJMWPTYMP-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.64
Rot. Bonds4

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

4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 2922176) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID2922176
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-14-6-4-5-13-22(14)19(23)17-7-2-3-8-18(17)21-26(24,25)16-11-9-15(20)10-12-16/h2-3,7-12,14,21H,4-6,13H2,1H3
InChIKeyNIWFWRJMWPTYMP-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(6-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 5155717
N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
CID 2805665
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2-[[(4-Fluorophenyl)sulfonyl]amino]benzamide
CID 788806
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
4-[2-(7-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 127043469
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 2922176) is 4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is CC1CCCCN1C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is NIWFWRJMWPTYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-6-4-5-13-22(14)19(23)17-7-2-3-8-18(17)21-26(24,25)16-11-9-15(20)10-12-16/h2-3,7-12,14,21H,4-6,13H2,1H3.
What are the key properties of 4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
4-fluoro-N-[2-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 3.64, 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-(2-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2922176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).