1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide

C13H18ClN3O3S — CID 61045541

IUPAC1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H18ClN3O3S/c1-2-15-13(18)10-4-7-17(8-5-10)21(19,20)11-3-6-16-12(14)9-11/h3,6,9-10H,2,4-5,7-8H2,1H3,(H,15,18)
InChIKeyMTXZHJRPCNHSDZ-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.27
Rot. Bonds4

About 1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide

1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 61045541) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is 1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide
PubChem CID61045541
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC Name1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H18ClN3O3S/c1-2-15-13(18)10-4-7-17(8-5-10)21(19,20)11-3-6-16-12(14)9-11/h3,6,9-10H,2,4-5,7-8H2,1H3,(H,15,18)
InChIKeyMTXZHJRPCNHSDZ-UHFFFAOYSA-N
XLogP1.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
CID 83098838
1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide
CID 110350937
(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 107877670
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-propylpiperidine-4-carboxamide
CID 26823088
N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113002724
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 41302656
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 3969532
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 61045619

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide (CID 61045541) is 1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(S(=O)(=O)c2ccnc(Cl)c2)CC1.
What is the InChIKey of 1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is MTXZHJRPCNHSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-2-15-13(18)10-4-7-17(8-5-10)21(19,20)11-3-6-16-12(14)9-11/h3,6,9-10H,2,4-5,7-8H2,1H3,(H,15,18).
What are the key properties of 1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide?
1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 61045541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).