N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C20H19Cl2F3N2O3S — CID 26363632

IUPACN-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19Cl2F3N2O3S/c21-17-4-2-1-3-14(17)12-26-19(28)13-7-9-27(10-8-13)31(29,30)15-5-6-18(22)16(11-15)20(23,24)25/h1-6,11,13H,7-10,12H2,(H,26,28)
InChIKeyQEUBJCFETYTFJY-UHFFFAOYSA-N
MW495.35 g/mol
LogP4.73
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 26363632) has the molecular formula C20H19Cl2F3N2O3S and a molecular weight of 495.35 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID26363632
Molecular FormulaC20H19Cl2F3N2O3S
Molecular Weight495.35 g/mol
Exact Mass494.04
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19Cl2F3N2O3S/c21-17-4-2-1-3-14(17)12-26-19(28)13-7-9-27(10-8-13)31(29,30)15-5-6-18(22)16(11-15)20(23,24)25/h1-6,11,13H,7-10,12H2,(H,26,28)
InChIKeyQEUBJCFETYTFJY-UHFFFAOYSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-propylpiperidine-4-carboxamide
CID 26823088
1-(4-bromophenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 1276465
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55754022
1-(benzenesulfonyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 46485716
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26578999
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 26870754
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26558333
1-[(2-chlorophenyl)methylsulfonyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 92642504
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 26085814
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963752
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 26363632) is N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is QEUBJCFETYTFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2O3S/c21-17-4-2-1-3-14(17)12-26-19(28)13-7-9-27(10-8-13)31(29,30)15-5-6-18(22)16(11-15)20(23,24)25/h1-6,11,13H,7-10,12H2,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 495.35 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26363632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).