1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide

C20H19ClF4N2O3S — CID 26717687

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(F)c1
InChIInChI=1S/C20H19ClF4N2O3S/c1-12-2-5-18(17(22)10-12)26-19(28)13-6-8-27(9-7-13)31(29,30)14-3-4-16(21)15(11-14)20(23,24)25/h2-5,10-11,13H,6-9H2,1H3,(H,26,28)
InChIKeySYPCBACZGYMGAH-UHFFFAOYSA-N
MW478.90 g/mol
LogP4.85
Rot. Bonds4

About 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 26717687) has the molecular formula C20H19ClF4N2O3S and a molecular weight of 478.90 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide
PubChem CID26717687
Molecular FormulaC20H19ClF4N2O3S
Molecular Weight478.90 g/mol
Exact Mass478.07
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(F)c1
InChIInChI=1S/C20H19ClF4N2O3S/c1-12-2-5-18(17(22)10-12)26-19(28)13-6-8-27(9-7-13)31(29,30)14-3-4-16(21)15(11-14)20(23,24)25/h2-5,10-11,13H,6-9H2,1H3,(H,26,28)
InChIKeySYPCBACZGYMGAH-UHFFFAOYSA-N
XLogP4.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 26085814
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26578999
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-propylpiperidine-4-carboxamide
CID 26823088
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27447398
(2S,3R)-2-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 25489281
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 126184126
1-(4-tert-butylphenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 26681397
N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26363632
N-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 2711703
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55754022
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327118

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide (CID 26717687) is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is SYPCBACZGYMGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N2O3S/c1-12-2-5-18(17(22)10-12)26-19(28)13-6-8-27(9-7-13)31(29,30)14-3-4-16(21)15(11-14)20(23,24)25/h2-5,10-11,13H,6-9H2,1H3,(H,26,28).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide?
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 478.90 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26717687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).