N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C16H17FN2O3S2 — CID 2053794

IUPACN-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17FN2O3S2/c17-13-3-5-14(6-4-13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,18,20)
InChIKeyAMKDDDPVTMYZSU-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.93
Rot. Bonds4

About N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2053794) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2053794
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC NameN-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17FN2O3S2/c17-13-3-5-14(6-4-13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,18,20)
InChIKeyAMKDDDPVTMYZSU-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2053794) is N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is AMKDDDPVTMYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c17-13-3-5-14(6-4-13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2053794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).