1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide

C16H22ClN3O3S — CID 75476198

IUPAC1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
SMILESO=C(c1ccnc(Cl)c1)N1CCCC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C16H22ClN3O3S/c17-15-10-12(7-8-18-15)16(21)20-9-3-6-14(11-20)24(22,23)19-13-4-1-2-5-13/h7-8,10,13-14,19H,1-6,9,11H2
InChIKeyNZQGCPDJCFUPIY-UHFFFAOYSA-N
MW371.89 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide

1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide (PubChem CID 75476198) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is 1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
PubChem CID75476198
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
SMILESO=C(c1ccnc(Cl)c1)N1CCCC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C16H22ClN3O3S/c17-15-10-12(7-8-18-15)16(21)20-9-3-6-14(11-20)24(22,23)19-13-4-1-2-5-13/h7-8,10,13-14,19H,1-6,9,11H2
InChIKeyNZQGCPDJCFUPIY-UHFFFAOYSA-N
XLogP2.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.20
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

(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348547
(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348457
(3S)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348456
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348566
(3R)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348567
4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 127219140
1-[2-(2-chlorophenyl)acetyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 126767287
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide?
The IUPAC name of 1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide (CID 75476198) is 1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide is O=C(c1ccnc(Cl)c1)N1CCCC(S(=O)(=O)NC2CCCC2)C1.
What is the InChIKey of 1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide?
The InChIKey is NZQGCPDJCFUPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c17-15-10-12(7-8-18-15)16(21)20-9-3-6-14(11-20)24(22,23)19-13-4-1-2-5-13/h7-8,10,13-14,19H,1-6,9,11H2.
What are the key properties of 1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide?
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide has a molecular weight of 371.89 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide is sourced from PubChem (CID 75476198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).