1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide

C21H24F3N3O4S — CID 51000909

IUPAC1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C(F)(F)F)nc3)CC2)cc1
InChIInChI=1S/C21H24F3N3O4S/c1-14-3-6-18(7-4-14)32(29,30)27-11-9-16(10-12-27)20(28)26-17-5-8-19(25-13-17)31-15(2)21(22,23)24/h3-8,13,15-16H,9-12H2,1-2H3,(H,26,28)
InChIKeyOYVQMSZJCBKKGF-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.76
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide

1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 51000909) has the molecular formula C21H24F3N3O4S and a molecular weight of 471.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID51000909
Molecular FormulaC21H24F3N3O4S
Molecular Weight471.50 g/mol
Exact Mass471.14
IUPAC Name1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C(F)(F)F)nc3)CC2)cc1
InChIInChI=1S/C21H24F3N3O4S/c1-14-3-6-18(7-4-14)32(29,30)27-11-9-16(10-12-27)20(28)26-17-5-8-19(25-13-17)31-15(2)21(22,23)24/h3-8,13,15-16H,9-12H2,1-2H3,(H,26,28)
InChIKeyOYVQMSZJCBKKGF-UHFFFAOYSA-N
XLogP3.76
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide (CID 51000909) is 1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C(F)(F)F)nc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is OYVQMSZJCBKKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4S/c1-14-3-6-18(7-4-14)32(29,30)27-11-9-16(10-12-27)20(28)26-17-5-8-19(25-13-17)31-15(2)21(22,23)24/h3-8,13,15-16H,9-12H2,1-2H3,(H,26,28).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 471.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 51000909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).