4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C13H12N6O2S — CID 118256913

IUPAC4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H12N6O2S/c1-8-2-4-9(5-3-8)10-6-7-15-13(22(14,20)21)11(10)12-16-18-19-17-12/h2-7H,1H3,(H2,14,20,21)(H,16,17,18,19)
InChIKeyWMPLABRDXMPSBL-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.88
Rot. Bonds3

About 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118256913) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118256913
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC Name4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H12N6O2S/c1-8-2-4-9(5-3-8)10-6-7-15-13(22(14,20)21)11(10)12-16-18-19-17-12/h2-7H,1H3,(H2,14,20,21)(H,16,17,18,19)
InChIKeyWMPLABRDXMPSBL-UHFFFAOYSA-N
XLogP0.88
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118256913) is 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is Cc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is WMPLABRDXMPSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S/c1-8-2-4-9(5-3-8)10-6-7-15-13(22(14,20)21)11(10)12-16-18-19-17-12/h2-7H,1H3,(H2,14,20,21)(H,16,17,18,19).
What are the key properties of 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 316.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118256913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).