N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C15H16ClN3O3S2 — CID 1190394

IUPACN-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H16ClN3O3S2/c16-12-3-6-17-13(10-12)18-15(20)11-4-7-19(8-5-11)24(21,22)14-2-1-9-23-14/h1-3,6,9-11H,4-5,7-8H2,(H,17,18,20)
InChIKeyPUPLKRFQMLWBLI-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.84
Rot. Bonds4

About N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 1190394) has the molecular formula C15H16ClN3O3S2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID1190394
Molecular FormulaC15H16ClN3O3S2
Molecular Weight385.90 g/mol
Exact Mass385.03
IUPAC NameN-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H16ClN3O3S2/c16-12-3-6-17-13(10-12)18-15(20)11-4-7-19(8-5-11)24(21,22)14-2-1-9-23-14/h1-3,6,9-11H,4-5,7-8H2,(H,17,18,20)
InChIKeyPUPLKRFQMLWBLI-UHFFFAOYSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2314215
4-Diethylsulfamoyl-thiophene-2-carboxylic acid pyridin-2-ylamide
CID 648487
N-(5-chloro-2-pyridinyl)-1-(2-thienylsulfonyl)-4-piperidinecarboxamide
CID 2082265
3-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)propanamide
CID 3163448
1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 5307272
N-(6-methylpyridin-2-yl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238348
N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2307845
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 3243916
N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 5053355
1-((4-chlorophenyl)sulfonyl)-N-(pyridin-2-yl)piperidine-4-carboxamide
CID 16421211
N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 1535318

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 1190394) is N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1cc(Cl)ccn1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PUPLKRFQMLWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S2/c16-12-3-6-17-13(10-12)18-15(20)11-4-7-19(8-5-11)24(21,22)14-2-1-9-23-14/h1-3,6,9-11H,4-5,7-8H2,(H,17,18,20).
What are the key properties of N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1190394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).