2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide

C12H13ClN4O3S — CID 59803396

IUPAC2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1N(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H13ClN4O3S/c1-8-7-15-11(12(16-8)20-3)17(2)21(18,19)9-5-4-6-14-10(9)13/h4-7H,1-3H3
InChIKeyGFHSVPCEWSUSOF-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.67
Rot. Bonds4

About 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide

2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide (PubChem CID 59803396) has the molecular formula C12H13ClN4O3S and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide
PubChem CID59803396
Molecular FormulaC12H13ClN4O3S
Molecular Weight328.78 g/mol
Exact Mass328.04
IUPAC Name2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1N(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H13ClN4O3S/c1-8-7-15-11(12(16-8)20-3)17(2)21(18,19)9-5-4-6-14-10(9)13/h4-7H,1-3H3
InChIKeyGFHSVPCEWSUSOF-UHFFFAOYSA-N
XLogP1.67
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide (CID 59803396) is 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide is COc1nc(C)cnc1N(C)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide?
The InChIKey is GFHSVPCEWSUSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S/c1-8-7-15-11(12(16-8)20-3)17(2)21(18,19)9-5-4-6-14-10(9)13/h4-7H,1-3H3.
What are the key properties of 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide?
2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide has a molecular weight of 328.78 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 59803396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).