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

C13H12N6O2S — CID 118256950

IUPAC3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)nc1
InChIInChI=1S/C13H12N6O2S/c1-8-5-6-10(15-7-8)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)
InChIKeyZCMCGXBQFPDRRS-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.88
Rot. Bonds3

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

3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118256950) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118256950
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC Name3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)nc1
InChIInChI=1S/C13H12N6O2S/c1-8-5-6-10(15-7-8)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)
InChIKeyZCMCGXBQFPDRRS-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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Related Compounds

3-pyridin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266627
3-(Quinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256898
3-quinolin-4-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118265930
3-(6-amino-4-methyl-3-pyridyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl) benzenesulfonamide
CID 118266353
3-(6-amino-5-fluoro-3-pyridyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266597
3-(6-amino-5-fluoropyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266107
3-(5-aminopyridin-2-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266258
3-(2-fluoropyridin-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823488
3-(6-fluoropyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823490
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266099
3-(quinolin-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266136
6-(((1r,4r)-4-(aminomethyl)cyclohexyl)methyl)-3-(6-aminopyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266269

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118256950) is 3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is ZCMCGXBQFPDRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S/c1-8-5-6-10(15-7-8)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-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(5-methyl-2-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-(5-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118256950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).