4-methylsulfanylpyridine-3-sulfonamide

C6H8N2O2S2 — CID 46703929

IUPAC4-methylsulfanylpyridine-3-sulfonamide
SMILESCSc1ccncc1S(N)(=O)=O
InChIInChI=1S/C6H8N2O2S2/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3,(H2,7,9,10)
InChIKeyPLOUCIVACOBALV-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.45
Rot. Bonds2

About 4-methylsulfanylpyridine-3-sulfonamide

4-methylsulfanylpyridine-3-sulfonamide (PubChem CID 46703929) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 4-methylsulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-methylsulfanylpyridine-3-sulfonamide
PubChem CID46703929
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC Name4-methylsulfanylpyridine-3-sulfonamide
SMILESCSc1ccncc1S(N)(=O)=O
InChIInChI=1S/C6H8N2O2S2/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3,(H2,7,9,10)
InChIKeyPLOUCIVACOBALV-UHFFFAOYSA-N
XLogP0.45
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpyridine-3-sulfonamide?
The IUPAC name of 4-methylsulfanylpyridine-3-sulfonamide (CID 46703929) is 4-methylsulfanylpyridine-3-sulfonamide.
What is the SMILES notation for 4-methylsulfanylpyridine-3-sulfonamide?
The canonical SMILES for 4-methylsulfanylpyridine-3-sulfonamide is CSc1ccncc1S(N)(=O)=O.
What is the InChIKey of 4-methylsulfanylpyridine-3-sulfonamide?
The InChIKey is PLOUCIVACOBALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3,(H2,7,9,10).
What are the key properties of 4-methylsulfanylpyridine-3-sulfonamide?
4-methylsulfanylpyridine-3-sulfonamide has a molecular weight of 204.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 46703929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).