4-formyl-6-methoxypyridine-3-sulfonamide

C7H8N2O4S — CID 130511506

IUPAC4-formyl-6-methoxypyridine-3-sulfonamide
SMILESCOc1cc(C=O)c(S(N)(=O)=O)cn1
InChIInChI=1S/C7H8N2O4S/c1-13-7-2-5(4-10)6(3-9-7)14(8,11)12/h2-4H,1H3,(H2,8,11,12)
InChIKeyBTBUVIXEAHXJNP-UHFFFAOYSA-N
MW216.22 g/mol
LogP-0.45
Rot. Bonds3

About 4-formyl-6-methoxypyridine-3-sulfonamide

4-formyl-6-methoxypyridine-3-sulfonamide (PubChem CID 130511506) has the molecular formula C7H8N2O4S and a molecular weight of 216.22 g/mol. Its IUPAC name is 4-formyl-6-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name4-formyl-6-methoxypyridine-3-sulfonamide
PubChem CID130511506
Molecular FormulaC7H8N2O4S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC Name4-formyl-6-methoxypyridine-3-sulfonamide
SMILESCOc1cc(C=O)c(S(N)(=O)=O)cn1
InChIInChI=1S/C7H8N2O4S/c1-13-7-2-5(4-10)6(3-9-7)14(8,11)12/h2-4H,1H3,(H2,8,11,12)
InChIKeyBTBUVIXEAHXJNP-UHFFFAOYSA-N
XLogP-0.45
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-formyl-6-methoxypyridine-3-sulfonamide?
The IUPAC name of 4-formyl-6-methoxypyridine-3-sulfonamide (CID 130511506) is 4-formyl-6-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 4-formyl-6-methoxypyridine-3-sulfonamide?
The canonical SMILES for 4-formyl-6-methoxypyridine-3-sulfonamide is COc1cc(C=O)c(S(N)(=O)=O)cn1.
What is the InChIKey of 4-formyl-6-methoxypyridine-3-sulfonamide?
The InChIKey is BTBUVIXEAHXJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S/c1-13-7-2-5(4-10)6(3-9-7)14(8,11)12/h2-4H,1H3,(H2,8,11,12).
What are the key properties of 4-formyl-6-methoxypyridine-3-sulfonamide?
4-formyl-6-methoxypyridine-3-sulfonamide has a molecular weight of 216.22 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-6-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 130511506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).