1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C17H17F3N2O3S2 — CID 15988651

IUPAC1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H17F3N2O3S2/c18-17(19,20)13-3-1-4-14(11-13)21-16(23)12-6-8-22(9-7-12)27(24,25)15-5-2-10-26-15/h1-5,10-12H,6-9H2,(H,21,23)
InChIKeyWGUAAICDVIOIQT-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.81
Rot. Bonds4

About 1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 15988651) has the molecular formula C17H17F3N2O3S2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID15988651
Molecular FormulaC17H17F3N2O3S2
Molecular Weight418.46 g/mol
Exact Mass418.06
IUPAC Name1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H17F3N2O3S2/c18-17(19,20)13-3-1-4-14(11-13)21-16(23)12-6-8-22(9-7-12)27(24,25)15-5-2-10-26-15/h1-5,10-12H,6-9H2,(H,21,23)
InChIKeyWGUAAICDVIOIQT-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 15988651) is 1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is WGUAAICDVIOIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S2/c18-17(19,20)13-3-1-4-14(11-13)21-16(23)12-6-8-22(9-7-12)27(24,25)15-5-2-10-26-15/h1-5,10-12H,6-9H2,(H,21,23).
What are the key properties of 1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 15988651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).