N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide

C15H14Cl3N3O3S2 — CID 55914179

IUPACN-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C15H14Cl3N3O3S2/c16-10-3-4-13(19-7-10)20-15(22)9-2-1-5-21(8-9)26(23,24)11-6-12(17)25-14(11)18/h3-4,6-7,9H,1-2,5,8H2,(H,19,20,22)
InChIKeyHKCYJEPQGIRBLQ-UHFFFAOYSA-N
MW454.79 g/mol
LogP4.14
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 55914179) has the molecular formula C15H14Cl3N3O3S2 and a molecular weight of 454.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide
PubChem CID55914179
Molecular FormulaC15H14Cl3N3O3S2
Molecular Weight454.79 g/mol
Exact Mass452.95
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C15H14Cl3N3O3S2/c16-10-3-4-13(19-7-10)20-15(22)9-2-1-5-21(8-9)26(23,24)11-6-12(17)25-14(11)18/h3-4,6-7,9H,1-2,5,8H2,(H,19,20,22)
InChIKeyHKCYJEPQGIRBLQ-UHFFFAOYSA-N
XLogP4.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55913799
N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55815983
ethyl 4-[(3S)-3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 51961591
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133359806
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973074
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805365

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide (CID 55914179) is N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is HKCYJEPQGIRBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N3O3S2/c16-10-3-4-13(19-7-10)20-15(22)9-2-1-5-21(8-9)26(23,24)11-6-12(17)25-14(11)18/h3-4,6-7,9H,1-2,5,8H2,(H,19,20,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 454.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55914179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).