2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide

C9H13ClN2O3S — CID 107651560

IUPAC2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide
SMILESCCn1cc(NS(=O)(=O)CCCl)ccc1=O
InChIInChI=1S/C9H13ClN2O3S/c1-2-12-7-8(3-4-9(12)13)11-16(14,15)6-5-10/h3-4,7,11H,2,5-6H2,1H3
InChIKeyZURYWEWAAVCEJZ-UHFFFAOYSA-N
MW264.73 g/mol
LogP0.85
Rot. Bonds5

About 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide

2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide (PubChem CID 107651560) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide
PubChem CID107651560
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide
SMILESCCn1cc(NS(=O)(=O)CCCl)ccc1=O
InChIInChI=1S/C9H13ClN2O3S/c1-2-12-7-8(3-4-9(12)13)11-16(14,15)6-5-10/h3-4,7,11H,2,5-6H2,1H3
InChIKeyZURYWEWAAVCEJZ-UHFFFAOYSA-N
XLogP0.85
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide
CID 54877695
2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide
CID 107651563
2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
CID 60932761
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606352
methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate
CID 61460257
2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61216187
2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide
CID 107650614
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103710399
1-ethyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63950885
5-(2-aminoethylamino)-1-ethylpyridin-2-one
CID 130588922
5-(cyclopropylamino)-1-ethylpyridin-2-one
CID 103439175
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358658

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide (CID 107651560) is 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide is CCn1cc(NS(=O)(=O)CCCl)ccc1=O.
What is the InChIKey of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide?
The InChIKey is ZURYWEWAAVCEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-2-12-7-8(3-4-9(12)13)11-16(14,15)6-5-10/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide?
2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide has a molecular weight of 264.73 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 107651560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).