N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C16H16F2N2O3S2 — CID 2506798

IUPACN-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H16F2N2O3S2/c17-13-4-3-12(10-14(13)18)19-16(21)11-5-7-20(8-6-11)25(22,23)15-2-1-9-24-15/h1-4,9-11H,5-8H2,(H,19,21)
InChIKeyPJGNUYDLAAAWLR-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.07
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2506798) has the molecular formula C16H16F2N2O3S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2506798
Molecular FormulaC16H16F2N2O3S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC NameN-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H16F2N2O3S2/c17-13-4-3-12(10-14(13)18)19-16(21)11-5-7-20(8-6-11)25(22,23)15-2-1-9-24-15/h1-4,9-11H,5-8H2,(H,19,21)
InChIKeyPJGNUYDLAAAWLR-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2506798) is N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PJGNUYDLAAAWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S2/c17-13-4-3-12(10-14(13)18)19-16(21)11-5-7-20(8-6-11)25(22,23)15-2-1-9-24-15/h1-4,9-11H,5-8H2,(H,19,21).
What are the key properties of N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2506798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).