3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

C13H12N6O3S — CID 118256785

IUPAC3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O3S/c14-23(21,22)11-3-1-2-10(12(11)13-16-18-19-17-13)8-4-5-9(7-20)15-6-8/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)
InChIKeyHBXLIZYOJWSEST-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.07
Rot. Bonds4

About 3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118256785) has the molecular formula C13H12N6O3S and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118256785
Molecular FormulaC13H12N6O3S
Molecular Weight332.35 g/mol
Exact Mass332.07
IUPAC Name3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O3S/c14-23(21,22)11-3-1-2-10(12(11)13-16-18-19-17-13)8-4-5-9(7-20)15-6-8/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)
InChIKeyHBXLIZYOJWSEST-UHFFFAOYSA-N
XLogP0.07
TPSA147.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-(Hydroxymethyl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-4-sulfonamide
CID 118256917
5-(4-(Hydroxymethyl)phenyl)-4-(1H-tetrazol-5-yl)pyridine-3-sulfonamide
CID 118257448
(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257356
2-(2H-tetrazol-5-yl)-3-{6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridin-3-yl}benzenesulfonamide
CID 118266628
US10227331, Example 111
CID 135150028
CID 118266072
CID 118266072
3-[2-(hydroxymethyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266121
3-(5-Methylpyridin-2-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide, TFA Salt
CID 118256950
6-(hydroxymethyl)-3''-(1H-tetrazol-5-yl)-[3,4''-bipyridine]-2''-sulfonamide
CID 118265340
3-(6-methylpyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266182
3-(6-propylpyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266183
3-(6-(aminomethyl)pyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266195

Frequently Asked Questions

What is the IUPAC name of 3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118256785) is 3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1.
What is the InChIKey of 3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is HBXLIZYOJWSEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3S/c14-23(21,22)11-3-1-2-10(12(11)13-16-18-19-17-13)8-4-5-9(7-20)15-6-8/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19).
What are the key properties of 3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 332.35 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118256785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).