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

C13H12N6O3S — CID 118256917

IUPAC2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide
SMILESNS(=O)(=O)c1ccnc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O3S/c14-23(21,22)10-5-6-15-12(11(10)13-16-18-19-17-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)
InChIKeyDYFBHJVSLCFRQD-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.07
Rot. Bonds4

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

2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide (PubChem CID 118256917) has the molecular formula C13H12N6O3S and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide
PubChem CID118256917
Molecular FormulaC13H12N6O3S
Molecular Weight332.35 g/mol
Exact Mass332.07
IUPAC Name2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide
SMILESNS(=O)(=O)c1ccnc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O3S/c14-23(21,22)10-5-6-15-12(11(10)13-16-18-19-17-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)
InChIKeyDYFBHJVSLCFRQD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[3-(Hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 71578641
3-[2-(hydroxymethyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266121
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
5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanol
CID 138110729
Amino-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol
CID 141520090
4-[2-[4-(Hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
CID 21221510
[4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol
CID 57174007
N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
CID 67604596
3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256785

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide (CID 118256917) is 2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide is NS(=O)(=O)c1ccnc(-c2ccc(CO)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide?
The InChIKey is DYFBHJVSLCFRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3S/c14-23(21,22)10-5-6-15-12(11(10)13-16-18-19-17-13)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 2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide?
2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-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 2-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 118256917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).