1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

C16H15F3N2O3S2 — CID 9095289

IUPAC1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H15F3N2O3S2/c17-11-3-4-12(15(19)14(11)18)20-16(22)10-5-7-21(8-6-10)26(23,24)13-2-1-9-25-13/h1-4,9-10H,5-8H2,(H,20,22)
InChIKeyIQGCNLJYDCZFRO-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.20
Rot. Bonds4

About 1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide (PubChem CID 9095289) has the molecular formula C16H15F3N2O3S2 and a molecular weight of 404.44 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
PubChem CID9095289
Molecular FormulaC16H15F3N2O3S2
Molecular Weight404.44 g/mol
Exact Mass404.05
IUPAC Name1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H15F3N2O3S2/c17-11-3-4-12(15(19)14(11)18)20-16(22)10-5-7-21(8-6-10)26(23,24)13-2-1-9-25-13/h1-4,9-10H,5-8H2,(H,20,22)
InChIKeyIQGCNLJYDCZFRO-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613
N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55920459
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855
N-[5-chloro-2-(dimethylamino)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55336383
1-(2,5-dichlorophenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358144
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830554
N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55412213
N-(2-methoxy-4-nitrophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830547
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide (CID 9095289) is 1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
The InChIKey is IQGCNLJYDCZFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S2/c17-11-3-4-12(15(19)14(11)18)20-16(22)10-5-7-21(8-6-10)26(23,24)13-2-1-9-25-13/h1-4,9-10H,5-8H2,(H,20,22).
What are the key properties of 1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 3.20, 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-(2,3,4-trifluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9095289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).