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

C20H22ClFN2O3S — CID 58702121

IUPAC1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C20H22ClFN2O3S/c21-18-5-1-2-6-19(18)28(26,27)24-13-3-4-16(14-24)20(25)23-12-11-15-7-9-17(22)10-8-15/h1-2,5-10,16H,3-4,11-14H2,(H,23,25)
InChIKeyXLNKSQXXKUERMT-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.24
Rot. Bonds6

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

1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 58702121) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID58702121
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC Name1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C20H22ClFN2O3S/c21-18-5-1-2-6-19(18)28(26,27)24-13-3-4-16(14-24)20(25)23-12-11-15-7-9-17(22)10-8-15/h1-2,5-10,16H,3-4,11-14H2,(H,23,25)
InChIKeyXLNKSQXXKUERMT-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3,5-Dichlorophenyl)sulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 134604213
(S)-1-((3-Chloro-2-methylphenyl)sulfonyl)-N-cyclohexylpiperidine-3-carboxamide
CID 11538562
2-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1346695
2-{[(3-chloro-4-fluorophenyl)sulfonyl]amino}-N-(2-phenylethyl)acetamide
CID 2243237
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 4791283
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 3684814
N-(2,4-dichlorobenzyl)-1-(2-fluorophenylsulfonyl)piperidine-4-carboxamide
CID 27646915
6-(2-Fluorobenzyl)-4-(4-chlorophenylsulfonyl)-1,4-diazepane-2,5-dione
CID 44439959
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-4-chlorobenzenesulfonamide
CID 45270800
N-[1-(3-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 646527
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529
Cyclohexanecarboxylic acid [1-(4-chloro-benzenesulfonyl)-piperidin-4-yl]-amide
CID 1241283

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (CID 58702121) is 1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is O=C(NCCc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is XLNKSQXXKUERMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c21-18-5-1-2-6-19(18)28(26,27)24-13-3-4-16(14-24)20(25)23-12-11-15-7-9-17(22)10-8-15/h1-2,5-10,16H,3-4,11-14H2,(H,23,25).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
1-(2-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 3.24, 6 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-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 58702121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).