3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C13H14N2O3S — CID 22601342

IUPAC3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1cccc(CO)c1
InChIInChI=1S/C13H14N2O3S/c16-10-11-4-3-6-13(8-11)19(17,18)15-9-12-5-1-2-7-14-12/h1-8,15-16H,9-10H2
InChIKeyVQMNVJOQYBJFHS-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.05
Rot. Bonds5

About 3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 22601342) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID22601342
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1cccc(CO)c1
InChIInChI=1S/C13H14N2O3S/c16-10-11-4-3-6-13(8-11)19(17,18)15-9-12-5-1-2-7-14-12/h1-8,15-16H,9-10H2
InChIKeyVQMNVJOQYBJFHS-UHFFFAOYSA-N
XLogP1.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 22601342) is 3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccccn1)c1cccc(CO)c1.
What is the InChIKey of 3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is VQMNVJOQYBJFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-10-11-4-3-6-13(8-11)19(17,18)15-9-12-5-1-2-7-14-12/h1-8,15-16H,9-10H2.
What are the key properties of 3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 22601342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).