4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid

C13H10N6O4S — CID 118257163

IUPAC4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid
SMILESNS(=O)(=O)c1nccc(-c2ccc(C(=O)O)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H10N6O4S/c14-24(22,23)12-10(11-16-18-19-17-11)9(5-6-15-12)7-1-3-8(4-2-7)13(20)21/h1-6H,(H,20,21)(H2,14,22,23)(H,16,17,18,19)
InChIKeyUERQXOZQQLBNAL-UHFFFAOYSA-N
MW346.33 g/mol
LogP0.27
Rot. Bonds4

About 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid

4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid (PubChem CID 118257163) has the molecular formula C13H10N6O4S and a molecular weight of 346.33 g/mol. Its IUPAC name is 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid
PubChem CID118257163
Molecular FormulaC13H10N6O4S
Molecular Weight346.33 g/mol
Exact Mass346.05
IUPAC Name4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid
SMILESNS(=O)(=O)c1nccc(-c2ccc(C(=O)O)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H10N6O4S/c14-24(22,23)12-10(11-16-18-19-17-11)9(5-6-15-12)7-1-3-8(4-2-7)13(20)21/h1-6H,(H,20,21)(H2,14,22,23)(H,16,17,18,19)
InChIKeyUERQXOZQQLBNAL-UHFFFAOYSA-N
XLogP0.27
TPSA164.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257356
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
Methyl 4-(2-sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzoate
CID 118257202
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
Benzene-1,3,5-tricarboxylic acid-5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (1/1)
CID 139081522
3-(5-methylsulfonyl-2-pyridinyl)-5-(2H-tetrazol-5-yl)benzoic acid
CID 68730250
3-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118266593
methyl 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate
CID 122694144
[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanol
CID 122694154
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid
CID 122694156
4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzoic acid
CID 140751902
methyl 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzoate
CID 140751910

Frequently Asked Questions

What is the IUPAC name of 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid?
The IUPAC name of 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid (CID 118257163) is 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid?
The canonical SMILES for 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid is NS(=O)(=O)c1nccc(-c2ccc(C(=O)O)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid?
The InChIKey is UERQXOZQQLBNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O4S/c14-24(22,23)12-10(11-16-18-19-17-11)9(5-6-15-12)7-1-3-8(4-2-7)13(20)21/h1-6H,(H,20,21)(H2,14,22,23)(H,16,17,18,19).
What are the key properties of 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid?
4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid has a molecular weight of 346.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid is sourced from PubChem (CID 118257163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).