6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide

C13H9Cl3N2O4S — CID 23002405

IUPAC6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(Cl)nc(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H9Cl3N2O4S/c1-22-7-5-10(17-11(16)6-7)13(19)18-23(20,21)12-8(14)3-2-4-9(12)15/h2-6H,1H3,(H,18,19)
InChIKeyCJICPKNTWHDMPH-UHFFFAOYSA-N
MW395.65 g/mol
LogP3.17
Rot. Bonds4

About 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide

6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide (PubChem CID 23002405) has the molecular formula C13H9Cl3N2O4S and a molecular weight of 395.65 g/mol. Its IUPAC name is 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
PubChem CID23002405
Molecular FormulaC13H9Cl3N2O4S
Molecular Weight395.65 g/mol
Exact Mass393.93
IUPAC Name6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(Cl)nc(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H9Cl3N2O4S/c1-22-7-5-10(17-11(16)6-7)13(19)18-23(20,21)12-8(14)3-2-4-9(12)15/h2-6H,1H3,(H,18,19)
InChIKeyCJICPKNTWHDMPH-UHFFFAOYSA-N
XLogP3.17
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.65
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide 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-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid
CID 23002380
(2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate
CID 19778891
methyl 6-chloro-4-methoxypyridine-2-carboxylate
CID 45489866
N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide
CID 174335307
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
1-(2,6-dichlorophenyl)-N-(2,6-dichlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453158
N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide
CID 139453172
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 130437691
N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116121

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide (CID 23002405) is 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide is COc1cc(Cl)nc(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide?
The InChIKey is CJICPKNTWHDMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O4S/c1-22-7-5-10(17-11(16)6-7)13(19)18-23(20,21)12-8(14)3-2-4-9(12)15/h2-6H,1H3,(H,18,19).
What are the key properties of 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide?
6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide has a molecular weight of 395.65 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 23002405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).