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

C11H11ClN4O3S — CID 21186216

IUPAC2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H11ClN4O3S/c1-7-6-14-10(11(15-7)19-2)16-20(17,18)8-4-3-5-13-9(8)12/h3-6H,1-2H3,(H,14,16)
InChIKeyVWNQIDZFFVUFIE-UHFFFAOYSA-N
MW314.75 g/mol
LogP1.64
Rot. Bonds4

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

2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide (PubChem CID 21186216) has the molecular formula C11H11ClN4O3S and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
PubChem CID21186216
Molecular FormulaC11H11ClN4O3S
Molecular Weight314.75 g/mol
Exact Mass314.02
IUPAC Name2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H11ClN4O3S/c1-7-6-14-10(11(15-7)19-2)16-20(17,18)8-4-3-5-13-9(8)12/h3-6H,1-2H3,(H,14,16)
InChIKeyVWNQIDZFFVUFIE-UHFFFAOYSA-N
XLogP1.64
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide (CID 21186216) is 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide is COc1nc(C)cnc1NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The InChIKey is VWNQIDZFFVUFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3S/c1-7-6-14-10(11(15-7)19-2)16-20(17,18)8-4-3-5-13-9(8)12/h3-6H,1-2H3,(H,14,16).
What are the key properties of 2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide has a molecular weight of 314.75 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 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)pyridine-3-sulfonamide is sourced from PubChem (CID 21186216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).