1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C19H19ClF3N3O3S — CID 24686977

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C19H19ClF3N3O3S/c1-12-2-5-17(24-11-12)25-18(27)13-6-8-26(9-7-13)30(28,29)14-3-4-16(20)15(10-14)19(21,22)23/h2-5,10-11,13H,6-9H2,1H3,(H,24,25,27)
InChIKeyITMWLEOGBKYASB-UHFFFAOYSA-N
MW461.89 g/mol
LogP4.10
Rot. Bonds4

About 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 24686977) has the molecular formula C19H19ClF3N3O3S and a molecular weight of 461.89 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID24686977
Molecular FormulaC19H19ClF3N3O3S
Molecular Weight461.89 g/mol
Exact Mass461.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C19H19ClF3N3O3S/c1-12-2-5-17(24-11-12)25-18(27)13-6-8-26(9-7-13)30(28,29)14-3-4-16(20)15(10-14)19(21,22)23/h2-5,10-11,13H,6-9H2,1H3,(H,24,25,27)
InChIKeyITMWLEOGBKYASB-UHFFFAOYSA-N
XLogP4.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.89
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 24686977) is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)nc1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is ITMWLEOGBKYASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3S/c1-12-2-5-17(24-11-12)25-18(27)13-6-8-26(9-7-13)30(28,29)14-3-4-16(20)15(10-14)19(21,22)23/h2-5,10-11,13H,6-9H2,1H3,(H,24,25,27).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 461.89 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 24686977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).