6-methylpyridine-3-sulfonamide

C6H8N2O2S — CID 45080575

IUPAC6-methylpyridine-3-sulfonamide
SMILESCc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C6H8N2O2S/c1-5-2-3-6(4-8-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
InChIKeyRPLBYMXKOXFVNR-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.04
Rot. Bonds1

About 6-methylpyridine-3-sulfonamide

6-methylpyridine-3-sulfonamide (PubChem CID 45080575) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 6-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-methylpyridine-3-sulfonamide
PubChem CID45080575
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name6-methylpyridine-3-sulfonamide
SMILESCc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C6H8N2O2S/c1-5-2-3-6(4-8-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
InChIKeyRPLBYMXKOXFVNR-UHFFFAOYSA-N
XLogP0.04
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyridine-3-sulfonamide?
The IUPAC name of 6-methylpyridine-3-sulfonamide (CID 45080575) is 6-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-methylpyridine-3-sulfonamide is Cc1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-methylpyridine-3-sulfonamide?
The InChIKey is RPLBYMXKOXFVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-5-2-3-6(4-8-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10).
What are the key properties of 6-methylpyridine-3-sulfonamide?
6-methylpyridine-3-sulfonamide has a molecular weight of 172.21 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridine-3-sulfonamide is sourced from PubChem (CID 45080575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).