1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C18H18F3N3O3S — CID 20851613

IUPAC1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H18F3N3O3S/c19-18(20,21)14-3-5-15(6-4-14)23-17(25)13-7-10-24(11-8-13)28(26,27)16-2-1-9-22-12-16/h1-6,9,12-13H,7-8,10-11H2,(H,23,25)
InChIKeyCJEOPXPYERBNGF-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.14
Rot. Bonds4

About 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 20851613) has the molecular formula C18H18F3N3O3S and a molecular weight of 413.42 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID20851613
Molecular FormulaC18H18F3N3O3S
Molecular Weight413.42 g/mol
Exact Mass413.10
IUPAC Name1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H18F3N3O3S/c19-18(20,21)14-3-5-15(6-4-14)23-17(25)13-7-10-24(11-8-13)28(26,27)16-2-1-9-22-12-16/h1-6,9,12-13H,7-8,10-11H2,(H,23,25)
InChIKeyCJEOPXPYERBNGF-UHFFFAOYSA-N
XLogP3.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.14
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-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 20851613) is 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is CJEOPXPYERBNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3S/c19-18(20,21)14-3-5-15(6-4-14)23-17(25)13-7-10-24(11-8-13)28(26,27)16-2-1-9-22-12-16/h1-6,9,12-13H,7-8,10-11H2,(H,23,25).
What are the key properties of 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 413.42 g/mol, XLogP of 3.14, 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-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 20851613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).