2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide

C10H13ClN2O4S2 — CID 61047462

IUPAC2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide
SMILESO=S1(=O)CCC(CNS(=O)(=O)c2cccnc2Cl)C1
InChIInChI=1S/C10H13ClN2O4S2/c11-10-9(2-1-4-12-10)19(16,17)13-6-8-3-5-18(14,15)7-8/h1-2,4,8,13H,3,5-7H2
InChIKeyQGWYCAQIKNEKEX-UHFFFAOYSA-N
MW324.81 g/mol
LogP0.45
Rot. Bonds4

About 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide

2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 61047462) has the molecular formula C10H13ClN2O4S2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID61047462
Molecular FormulaC10H13ClN2O4S2
Molecular Weight324.81 g/mol
Exact Mass324.00
IUPAC Name2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide
SMILESO=S1(=O)CCC(CNS(=O)(=O)c2cccnc2Cl)C1
InChIInChI=1S/C10H13ClN2O4S2/c11-10-9(2-1-4-12-10)19(16,17)13-6-8-3-5-18(14,15)7-8/h1-2,4,8,13H,3,5-7H2
InChIKeyQGWYCAQIKNEKEX-UHFFFAOYSA-N
XLogP0.45
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide 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

2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107412513
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 47171265
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692339
2-chloro-N-(2-cyclohexylethyl)pyridine-3-sulfonamide
CID 54932567
5-amino-2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 61125691
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-sulfonamide
CID 60716041
3-amino-2-bromo-5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzenesulfonamide
CID 62955842
2-chloro-N-cyclobutylpyridine-3-sulfonamide
CID 62414188
1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 110722896
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145464
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 61127648

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide (CID 61047462) is 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide is O=S1(=O)CCC(CNS(=O)(=O)c2cccnc2Cl)C1.
What is the InChIKey of 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is QGWYCAQIKNEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S2/c11-10-9(2-1-4-12-10)19(16,17)13-6-8-3-5-18(14,15)7-8/h1-2,4,8,13H,3,5-7H2.
What are the key properties of 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide?
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 324.81 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 61047462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).