1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide

C20H22ClFN2O3S — CID 33005231

IUPAC1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-2-24(18-7-5-17(22)6-8-18)20(25)15-11-13-23(14-12-15)28(26,27)19-9-3-16(21)4-10-19/h3-10,15H,2,11-14H2,1H3
InChIKeyIACNVGLDIDWJKQ-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.93
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 33005231) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
PubChem CID33005231
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-2-24(18-7-5-17(22)6-8-18)20(25)15-11-13-23(14-12-15)28(26,27)19-9-3-16(21)4-10-19/h3-10,15H,2,11-14H2,1H3
InChIKeyIACNVGLDIDWJKQ-UHFFFAOYSA-N
XLogP3.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-N-ethylpiperidine-4-carboxamide
CID 134060795
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 100798996
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 7601399
N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 55661720

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide (CID 33005231) is 1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide is CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is IACNVGLDIDWJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-2-24(18-7-5-17(22)6-8-18)20(25)15-11-13-23(14-12-15)28(26,27)19-9-3-16(21)4-10-19/h3-10,15H,2,11-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 33005231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).