N-methylpyridine-3-sulfonamide

C6H8N2O2S — CID 13032981

IUPACN-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C6H8N2O2S/c1-7-11(9,10)6-3-2-4-8-5-6/h2-5,7H,1H3
InChIKeyVWJKIEGKFXYPIQ-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.01
Rot. Bonds2

About N-methylpyridine-3-sulfonamide

N-methylpyridine-3-sulfonamide (PubChem CID 13032981) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methylpyridine-3-sulfonamide
PubChem CID13032981
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC NameN-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C6H8N2O2S/c1-7-11(9,10)6-3-2-4-8-5-6/h2-5,7H,1H3
InChIKeyVWJKIEGKFXYPIQ-UHFFFAOYSA-N
XLogP-0.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylpyridine-3-sulfonamide?
The IUPAC name of N-methylpyridine-3-sulfonamide (CID 13032981) is N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-methylpyridine-3-sulfonamide?
The InChIKey is VWJKIEGKFXYPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-7-11(9,10)6-3-2-4-8-5-6/h2-5,7H,1H3.
What are the key properties of N-methylpyridine-3-sulfonamide?
N-methylpyridine-3-sulfonamide has a molecular weight of 172.21 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 13032981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).