6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide

C13H13ClN2O3S — CID 2683558

IUPAC6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN2O3S/c1-9-3-5-12(19-2)11(7-9)16-20(17,18)10-4-6-13(14)15-8-10/h3-8,16H,1-2H3
InChIKeyJSACNOOXYGEORB-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.85
Rot. Bonds4

About 6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide

6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide (PubChem CID 2683558) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
PubChem CID2683558
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN2O3S/c1-9-3-5-12(19-2)11(7-9)16-20(17,18)10-4-6-13(14)15-8-10/h3-8,16H,1-2H3
InChIKeyJSACNOOXYGEORB-UHFFFAOYSA-N
XLogP2.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-5-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide (CID 2683558) is 6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is JSACNOOXYGEORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-9-3-5-12(19-2)11(7-9)16-20(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-methoxy-5-methylphenyl)pyridine-3-sulfonamide?
6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 2683558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).