3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C13H12N6O2S — CID 118266134

IUPAC3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccncc1-c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O2S/c1-8-5-6-15-7-10(8)9-3-2-4-11(22(14,20)21)12(9)13-16-18-19-17-13/h2-7H,1H3,(H2,14,20,21)(H,16,17,18,19)
InChIKeyTYPPDRKNERPHMN-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.88
Rot. Bonds3

About 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266134) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266134
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC Name3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccncc1-c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O2S/c1-8-5-6-15-7-10(8)9-3-2-4-11(22(14,20)21)12(9)13-16-18-19-17-13/h2-7H,1H3,(H2,14,20,21)(H,16,17,18,19)
InChIKeyTYPPDRKNERPHMN-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266134) is 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1ccncc1-c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is TYPPDRKNERPHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S/c1-8-5-6-15-7-10(8)9-3-2-4-11(22(14,20)21)12(9)13-16-18-19-17-13/h2-7H,1H3,(H2,14,20,21)(H,16,17,18,19).
What are the key properties of 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide 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 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).