1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C20H20ClF3N2O3S — CID 58702027

IUPAC1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C20H20ClF3N2O3S/c21-17-9-3-4-10-18(17)30(28,29)26-11-5-7-15(13-26)19(27)25-12-14-6-1-2-8-16(14)20(22,23)24/h1-4,6,8-10,15H,5,7,11-13H2,(H,25,27)
InChIKeyWYWCIYDJAWITQD-UHFFFAOYSA-N
MW460.91 g/mol
LogP4.08
Rot. Bonds5

About 1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 58702027) has the molecular formula C20H20ClF3N2O3S and a molecular weight of 460.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID58702027
Molecular FormulaC20H20ClF3N2O3S
Molecular Weight460.91 g/mol
Exact Mass460.08
IUPAC Name1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C20H20ClF3N2O3S/c21-17-9-3-4-10-18(17)30(28,29)26-11-5-7-15(13-26)19(27)25-12-14-6-1-2-8-16(14)20(22,23)24/h1-4,6,8-10,15H,5,7,11-13H2,(H,25,27)
InChIKeyWYWCIYDJAWITQD-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.91
LogP ≤ 54.08
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
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 4791283
N-(2,4-dichlorobenzyl)-1-(2-fluorophenylsulfonyl)piperidine-4-carboxamide
CID 27646915
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327917
N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2382503
1-(4-Chloro-benzenesulfonyl)-piperidine-4-carboxylic acid 4-fluoro-benzylamide
CID 2668514
N-benzyl-1-((4-fluorophenyl)sulfonyl)piperidine-3-carboxamide
CID 2968290
N-(3-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 8071772
N-(3-((2-chlorobenzyl)amino)-3-oxopropyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 16420567
N-(3-((4-chlorobenzyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17584672

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 58702027) is 1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1C(F)(F)F)C1CCCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is WYWCIYDJAWITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O3S/c21-17-9-3-4-10-18(17)30(28,29)26-11-5-7-15(13-26)19(27)25-12-14-6-1-2-8-16(14)20(22,23)24/h1-4,6,8-10,15H,5,7,11-13H2,(H,25,27).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
1-(2-chlorophenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 460.91 g/mol, XLogP of 4.08, 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-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 58702027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).