2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide

C12H18ClN3O2S — CID 61047090

IUPAC2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-2-16-7-4-10(5-8-16)15-19(17,18)11-3-6-14-12(13)9-11/h3,6,9-10,15H,2,4-5,7-8H2,1H3
InChIKeyOFNASHSEBLJCQY-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.50
Rot. Bonds4

About 2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide

2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide (PubChem CID 61047090) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide
PubChem CID61047090
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-2-16-7-4-10(5-8-16)15-19(17,18)11-3-6-14-12(13)9-11/h3,6,9-10,15H,2,4-5,7-8H2,1H3
InChIKeyOFNASHSEBLJCQY-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.50
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

2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
CID 64749413
3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126995
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
2-chloro-N-(2-ethylcyclohexyl)pyridine-4-sulfonamide
CID 61051433
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 133373762
2-amino-4-chloro-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61125265
4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 127219140
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide
CID 61050841
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22772586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide (CID 61047090) is 2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide is CCN1CCC(NS(=O)(=O)c2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide?
The InChIKey is OFNASHSEBLJCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-2-16-7-4-10(5-8-16)15-19(17,18)11-3-6-14-12(13)9-11/h3,6,9-10,15H,2,4-5,7-8H2,1H3.
What are the key properties of 2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide?
2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 61047090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).