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

C13H16N6O3S — CID 134823554

IUPAC4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1C1NNNN1
InChIInChI=1S/C13H16N6O3S/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/h1-6,12,16-20H,7H2,(H2,14,21,22)
InChIKeyHJSLKMNKOQJMCF-UHFFFAOYSA-N
MW336.38 g/mol
LogP-1.00
Rot. Bonds4

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

4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide (PubChem CID 134823554) has the molecular formula C13H16N6O3S and a molecular weight of 336.38 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
PubChem CID134823554
Molecular FormulaC13H16N6O3S
Molecular Weight336.38 g/mol
Exact Mass336.10
IUPAC Name4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1C1NNNN1
InChIInChI=1S/C13H16N6O3S/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/h1-6,12,16-20H,7H2,(H2,14,21,22)
InChIKeyHJSLKMNKOQJMCF-UHFFFAOYSA-N
XLogP-1.00
TPSA141.40 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.38
LogP ≤ 5-1.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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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
3-[2-(hydroxymethyl)pyridin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823517
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide and 4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzoic acid
CID 134823555
4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 134823564
3-(2H-tetrazol-5-yl)-4-(o-tolyl)pyridine-2-sulfonamide
CID 134823566
3-(6-(Hydroxymethyl)pyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 134823584
3-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide
CID 107230354
N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
CID 67604596
Pyridine-2-sulfonic acid 4-hydroxymethyl-benzylamide
CID 68898056
[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanol
CID 122694154

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide (CID 134823554) is 4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1C1NNNN1.
What is the InChIKey of 4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The InChIKey is HJSLKMNKOQJMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3S/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/h1-6,12,16-20H,7H2,(H2,14,21,22).
What are the key properties of 4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide has a molecular weight of 336.38 g/mol, XLogP of -1.00, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)phenyl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 134823554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).