2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide

C12H12N2O3S — CID 144893442

IUPAC2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CO)nc1
InChIInChI=1S/C12H12N2O3S/c13-18(16,17)12-4-2-1-3-11(12)9-5-6-10(8-15)14-7-9/h1-7,15H,8H2,(H2,13,16,17)
InChIKeyDQLOKLDLIXLVNE-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.89
Rot. Bonds3

About 2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide

2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 144893442) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide
PubChem CID144893442
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CO)nc1
InChIInChI=1S/C12H12N2O3S/c13-18(16,17)12-4-2-1-3-11(12)9-5-6-10(8-15)14-7-9/h1-7,15H,8H2,(H2,13,16,17)
InChIKeyDQLOKLDLIXLVNE-UHFFFAOYSA-N
XLogP0.89
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide (CID 144893442) is 2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc(CO)nc1.
What is the InChIKey of 2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is DQLOKLDLIXLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-18(16,17)12-4-2-1-3-11(12)9-5-6-10(8-15)14-7-9/h1-7,15H,8H2,(H2,13,16,17).
What are the key properties of 2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide?
2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 144893442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).