3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide

C13H15FN6O2S — CID 134823507

IUPAC3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCc1nc(F)ccc1-c1cccc(S(N)(=O)=O)c1C1NNNN1
InChIInChI=1S/C13H15FN6O2S/c1-7-8(5-6-11(14)16-7)9-3-2-4-10(23(15,21)22)12(9)13-17-19-20-18-13/h2-6,13,17-20H,1H3,(H2,15,21,22)
InChIKeyIGFXPHAANREAOE-UHFFFAOYSA-N
MW338.37 g/mol
LogP-0.04
Rot. Bonds3

About 3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide

3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823507) has the molecular formula C13H15FN6O2S and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823507
Molecular FormulaC13H15FN6O2S
Molecular Weight338.37 g/mol
Exact Mass338.10
IUPAC Name3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCc1nc(F)ccc1-c1cccc(S(N)(=O)=O)c1C1NNNN1
InChIInChI=1S/C13H15FN6O2S/c1-7-8(5-6-11(14)16-7)9-3-2-4-10(23(15,21)22)12(9)13-17-19-20-18-13/h2-6,13,17-20H,1H3,(H2,15,21,22)
InChIKeyIGFXPHAANREAOE-UHFFFAOYSA-N
XLogP-0.04
TPSA121.17 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(6-piperidin-4-ylpyridin-3-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823717
3-(4-methylpyridin-3-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823720
3-(6-fluoropyridin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823483
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
3-pyridin-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823518
3-(2,6-diaminopyridin-4-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 134823540
3-(5-cyanopyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 134823543
3-(5-Methylpyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823580
3-(5,6,7,8-Tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823646
US10221163, Example 461
CID 139269292

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823507) is 3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is Cc1nc(F)ccc1-c1cccc(S(N)(=O)=O)c1C1NNNN1.
What is the InChIKey of 3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is IGFXPHAANREAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O2S/c1-7-8(5-6-11(14)16-7)9-3-2-4-10(23(15,21)22)12(9)13-17-19-20-18-13/h2-6,13,17-20H,1H3,(H2,15,21,22).
What are the key properties of 3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 338.37 g/mol, XLogP of -0.04, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).