6-formyl-N-methylpyridine-3-sulfonamide

C7H8N2O3S — CID 18716958

IUPAC6-formyl-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C=O)nc1
InChIInChI=1S/C7H8N2O3S/c1-8-13(11,12)7-3-2-6(5-10)9-4-7/h2-5,8H,1H3
InChIKeyIFXJOMYDRAUYTD-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.20
Rot. Bonds3

About 6-formyl-N-methylpyridine-3-sulfonamide

6-formyl-N-methylpyridine-3-sulfonamide (PubChem CID 18716958) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 6-formyl-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-formyl-N-methylpyridine-3-sulfonamide
PubChem CID18716958
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name6-formyl-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C=O)nc1
InChIInChI=1S/C7H8N2O3S/c1-8-13(11,12)7-3-2-6(5-10)9-4-7/h2-5,8H,1H3
InChIKeyIFXJOMYDRAUYTD-UHFFFAOYSA-N
XLogP-0.20
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-formyl-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-formyl-N-methylpyridine-3-sulfonamide (CID 18716958) is 6-formyl-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-formyl-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-formyl-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(C=O)nc1.
What is the InChIKey of 6-formyl-N-methylpyridine-3-sulfonamide?
The InChIKey is IFXJOMYDRAUYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-8-13(11,12)7-3-2-6(5-10)9-4-7/h2-5,8H,1H3.
What are the key properties of 6-formyl-N-methylpyridine-3-sulfonamide?
6-formyl-N-methylpyridine-3-sulfonamide has a molecular weight of 200.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 18716958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).