2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide

C13H12Cl2N2O4S — CID 24621377

IUPAC2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccnc2Cl)c(OC)cc1Cl
InChIInChI=1S/C13H12Cl2N2O4S/c1-20-10-7-9(11(21-2)6-8(10)14)17-22(18,19)12-4-3-5-16-13(12)15/h3-7,17H,1-2H3
InChIKeyQXQPVUFKNOJSAV-UHFFFAOYSA-N
MW363.22 g/mol
LogP3.21
Rot. Bonds5

About 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide

2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide (PubChem CID 24621377) has the molecular formula C13H12Cl2N2O4S and a molecular weight of 363.22 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
PubChem CID24621377
Molecular FormulaC13H12Cl2N2O4S
Molecular Weight363.22 g/mol
Exact Mass361.99
IUPAC Name2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccnc2Cl)c(OC)cc1Cl
InChIInChI=1S/C13H12Cl2N2O4S/c1-20-10-7-9(11(21-2)6-8(10)14)17-22(18,19)12-4-3-5-16-13(12)15/h3-7,17H,1-2H3
InChIKeyQXQPVUFKNOJSAV-UHFFFAOYSA-N
XLogP3.21
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
CID 43388263
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 24650659
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599417
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
2-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61046258
2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62816422
N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide (CID 24621377) is 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide is COc1cc(NS(=O)(=O)c2cccnc2Cl)c(OC)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is QXQPVUFKNOJSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4S/c1-20-10-7-9(11(21-2)6-8(10)14)17-22(18,19)12-4-3-5-16-13(12)15/h3-7,17H,1-2H3.
What are the key properties of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide?
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide has a molecular weight of 363.22 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 24621377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).