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

C13H13ClN2O4S — CID 822461

IUPAC6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H13ClN2O4S/c1-19-9-3-5-12(20-2)11(7-9)16-21(17,18)10-4-6-13(14)15-8-10/h3-8,16H,1-2H3
InChIKeyIVSCICMHAPDVPW-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.55
Rot. Bonds5

About 6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide

6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide (PubChem CID 822461) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide
PubChem CID822461
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H13ClN2O4S/c1-19-9-3-5-12(20-2)11(7-9)16-21(17,18)10-4-6-13(14)15-8-10/h3-8,16H,1-2H3
InChIKeyIVSCICMHAPDVPW-UHFFFAOYSA-N
XLogP2.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide (CID 822461) is 6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of 6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is IVSCICMHAPDVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-19-9-3-5-12(20-2)11(7-9)16-21(17,18)10-4-6-13(14)15-8-10/h3-8,16H,1-2H3.
What are the key properties of 6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide?
6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide has a molecular weight of 328.78 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-dimethoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 822461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).