4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide

C13H16N6O2S — CID 134823566

IUPAC4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
SMILESCc1ccccc1-c1ccnc(S(N)(=O)=O)c1C1NNNN1
InChIInChI=1S/C13H16N6O2S/c1-8-4-2-3-5-9(8)10-6-7-15-13(22(14,20)21)11(10)12-16-18-19-17-12/h2-7,12,16-19H,1H3,(H2,14,20,21)
InChIKeyREQNXQZNSNSRMD-UHFFFAOYSA-N
MW320.38 g/mol
LogP-0.18
Rot. Bonds3

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

4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide (PubChem CID 134823566) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is 4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
PubChem CID134823566
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC Name4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
SMILESCc1ccccc1-c1ccnc(S(N)(=O)=O)c1C1NNNN1
InChIInChI=1S/C13H16N6O2S/c1-8-4-2-3-5-9(8)10-6-7-15-13(22(14,20)21)11(10)12-16-18-19-17-12/h2-7,12,16-19H,1H3,(H2,14,20,21)
InChIKeyREQNXQZNSNSRMD-UHFFFAOYSA-N
XLogP-0.18
TPSA121.17 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1075099
3,3-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonyl-3-pyridinyl)phenyl]methyl]butan-1-amine
CID 53465710
3-(4-methylpyridin-3-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823720
2-methyl-N-[[4-(2-pyrrolidin-1-ylsulfonyl-3-pyridinyl)phenyl]methyl]propan-1-amine
CID 53465638
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-(5-fluoropyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823509
N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-4-carboximidamide
CID 25185416
CID 118265917
CID 118265917
3-(1H-Tetrazol-5-yl)-4-(p-tolyl)pyridine-2-sulfonamide
CID 118256913
3''-(1H-tetrazol-5-yl)-[3,4''-bipyridine]-2''-sulfonamide
CID 118265336
3-(4-methylpyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266134

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide (CID 134823566) is 4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide is Cc1ccccc1-c1ccnc(S(N)(=O)=O)c1C1NNNN1.
What is the InChIKey of 4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The InChIKey is REQNXQZNSNSRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-8-4-2-3-5-9(8)10-6-7-15-13(22(14,20)21)11(10)12-16-18-19-17-12/h2-7,12,16-19H,1H3,(H2,14,20,21).
What are the key properties of 4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide has a molecular weight of 320.38 g/mol, XLogP of -0.18, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 134823566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).