6-(hydroxymethyl)pyridine-3-sulfonamide

C6H8N2O3S — CID 45080607

IUPAC6-(hydroxymethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(CO)nc1
InChIInChI=1S/C6H8N2O3S/c7-12(10,11)6-2-1-5(4-9)8-3-6/h1-3,9H,4H2,(H2,7,10,11)
InChIKeySRWHLTPFVXTNKO-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.78
Rot. Bonds2

About 6-(hydroxymethyl)pyridine-3-sulfonamide

6-(hydroxymethyl)pyridine-3-sulfonamide (PubChem CID 45080607) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 6-(hydroxymethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(hydroxymethyl)pyridine-3-sulfonamide
PubChem CID45080607
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name6-(hydroxymethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(CO)nc1
InChIInChI=1S/C6H8N2O3S/c7-12(10,11)6-2-1-5(4-9)8-3-6/h1-3,9H,4H2,(H2,7,10,11)
InChIKeySRWHLTPFVXTNKO-UHFFFAOYSA-N
XLogP-0.78
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(hydroxymethyl)pyridine-3-sulfonamide (CID 45080607) is 6-(hydroxymethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(hydroxymethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(hydroxymethyl)pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(CO)nc1.
What is the InChIKey of 6-(hydroxymethyl)pyridine-3-sulfonamide?
The InChIKey is SRWHLTPFVXTNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c7-12(10,11)6-2-1-5(4-9)8-3-6/h1-3,9H,4H2,(H2,7,10,11).
What are the key properties of 6-(hydroxymethyl)pyridine-3-sulfonamide?
6-(hydroxymethyl)pyridine-3-sulfonamide has a molecular weight of 188.21 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 45080607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).