N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C20H23FN2O3S — CID 3544868

IUPACN-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-2-15-5-9-18(10-6-15)22-20(24)16-4-3-13-23(14-16)27(25,26)19-11-7-17(21)8-12-19/h5-12,16H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyYCTVCSDPKYIZHH-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.43
Rot. Bonds5

About N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3544868) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3544868
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-2-15-5-9-18(10-6-15)22-20(24)16-4-3-13-23(14-16)27(25,26)19-11-7-17(21)8-12-19/h5-12,16H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyYCTVCSDPKYIZHH-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2990495
N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2991521
N-(3,4-difluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 19583486
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656145
Sulfonamide deriv., 7d
CID 44520901
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 3544868) is N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is CCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is YCTVCSDPKYIZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-2-15-5-9-18(10-6-15)22-20(24)16-4-3-13-23(14-16)27(25,26)19-11-7-17(21)8-12-19/h5-12,16H,2-4,13-14H2,1H3,(H,22,24).
What are the key properties of N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3544868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).