1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

C20H22ClFN2O3S — CID 58702008

IUPAC1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)c2ccccc2Cl)C1)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-14(15-8-10-17(22)11-9-15)23-20(25)16-5-4-12-24(13-16)28(26,27)19-7-3-2-6-18(19)21/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,23,25)
InChIKeyUKZWUYHHNMBIFT-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.76
Rot. Bonds5

About 1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 58702008) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID58702008
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC Name1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)c2ccccc2Cl)C1)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-14(15-8-10-17(22)11-9-15)23-20(25)16-5-4-12-24(13-16)28(26,27)19-7-3-2-6-18(19)21/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,23,25)
InChIKeyUKZWUYHHNMBIFT-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (CID 58702008) is 1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCN(S(=O)(=O)c2ccccc2Cl)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is UKZWUYHHNMBIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-14(15-8-10-17(22)11-9-15)23-20(25)16-5-4-12-24(13-16)28(26,27)19-7-3-2-6-18(19)21/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,23,25).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 58702008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).