1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C13H16F3N3O3S — CID 46409035

IUPAC1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H16F3N3O3S/c14-13(15,16)9-18-12(20)10-3-6-19(7-4-10)23(21,22)11-2-1-5-17-8-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,18,20)
InChIKeyXNUVABDHQFWECQ-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.16
Rot. Bonds4

About 1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 46409035) has the molecular formula C13H16F3N3O3S and a molecular weight of 351.35 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID46409035
Molecular FormulaC13H16F3N3O3S
Molecular Weight351.35 g/mol
Exact Mass351.09
IUPAC Name1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H16F3N3O3S/c14-13(15,16)9-18-12(20)10-3-6-19(7-4-10)23(21,22)11-2-1-5-17-8-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,18,20)
InChIKeyXNUVABDHQFWECQ-UHFFFAOYSA-N
XLogP1.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 46409035) is 1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is XNUVABDHQFWECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3S/c14-13(15,16)9-18-12(20)10-3-6-19(7-4-10)23(21,22)11-2-1-5-17-8-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,18,20).
What are the key properties of 1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 351.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46409035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).