1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C19H17Cl2F3N2O3S — CID 1303925

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H17Cl2F3N2O3S/c20-14-4-5-16(21)17(11-14)30(28,29)26-8-6-12(7-9-26)18(27)25-15-3-1-2-13(10-15)19(22,23)24/h1-5,10-12H,6-9H2,(H,25,27)
InChIKeyADFAPMWUXXHCMG-UHFFFAOYSA-N
MW481.32 g/mol
LogP5.05
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 1303925) has the molecular formula C19H17Cl2F3N2O3S and a molecular weight of 481.32 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID1303925
Molecular FormulaC19H17Cl2F3N2O3S
Molecular Weight481.32 g/mol
Exact Mass480.03
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H17Cl2F3N2O3S/c20-14-4-5-16(21)17(11-14)30(28,29)26-8-6-12(7-9-26)18(27)25-15-3-1-2-13(10-15)19(22,23)24/h1-5,10-12H,6-9H2,(H,25,27)
InChIKeyADFAPMWUXXHCMG-UHFFFAOYSA-N
XLogP5.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.32
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26114411
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131366
N-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26086131
N-(1,3-benzodioxol-5-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 4965136
N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39213693
1-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 19062300
N-tert-butyl-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 4848895
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 47080772
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
1-(2,5-dichlorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 46651843
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
(2R)-1-(2-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487050

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 1303925) is 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is ADFAPMWUXXHCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N2O3S/c20-14-4-5-16(21)17(11-14)30(28,29)26-8-6-12(7-9-26)18(27)25-15-3-1-2-13(10-15)19(22,23)24/h1-5,10-12H,6-9H2,(H,25,27).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 481.32 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 1303925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).