4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C13H12N6O3S — CID 118257356

IUPAC4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O3S/c14-23(21,22)13-11(12-16-18-19-17-12)10(5-6-15-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)
InChIKeyZLLPEJMJTQBWDI-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.07
Rot. Bonds4

About 4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118257356) has the molecular formula C13H12N6O3S and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118257356
Molecular FormulaC13H12N6O3S
Molecular Weight332.35 g/mol
Exact Mass332.07
IUPAC Name4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O3S/c14-23(21,22)13-11(12-16-18-19-17-12)10(5-6-15-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)
InChIKeyZLLPEJMJTQBWDI-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
CID 118265917
CID 118265917
3-[2-(hydroxymethyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266121
3-(1H-Tetrazol-5-yl)-4-(p-tolyl)pyridine-2-sulfonamide
CID 118256913
Methyl 4-(2-sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzoate
CID 118257202
4-(4-(Tetrahydro-2H-pyran-4-yl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257383
6-(hydroxymethyl)-3''-(1H-tetrazol-5-yl)-[3,4''-bipyridine]-2''-sulfonamide
CID 118265340
4-(4-(Hydroxymethyl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 134823554
3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256785
4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid
CID 118257163
4-(2-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265913

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118257356) is 4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is ZLLPEJMJTQBWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3S/c14-23(21,22)13-11(12-16-18-19-17-12)10(5-6-15-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19).
What are the key properties of 4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide 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 4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118257356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).