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

C12H13FN6O2S — CID 134823490

IUPAC3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(F)nc2)c1C1NNNN1
InChIInChI=1S/C12H13FN6O2S/c13-10-5-4-7(6-15-10)8-2-1-3-9(22(14,20)21)11(8)12-16-18-19-17-12/h1-6,12,16-19H,(H2,14,20,21)
InChIKeyLFQYSEKCJBYTQV-UHFFFAOYSA-N
MW324.34 g/mol
LogP-0.35
Rot. Bonds3

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

3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823490) has the molecular formula C12H13FN6O2S and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823490
Molecular FormulaC12H13FN6O2S
Molecular Weight324.34 g/mol
Exact Mass324.08
IUPAC Name3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(F)nc2)c1C1NNNN1
InChIInChI=1S/C12H13FN6O2S/c13-10-5-4-7(6-15-10)8-2-1-3-9(22(14,20)21)11(8)12-16-18-19-17-12/h1-6,12,16-19H,(H2,14,20,21)
InChIKeyLFQYSEKCJBYTQV-UHFFFAOYSA-N
XLogP-0.35
TPSA121.17 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-0.35
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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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823490) is 3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(F)nc2)c1C1NNNN1.
What is the InChIKey of 3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is LFQYSEKCJBYTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN6O2S/c13-10-5-4-7(6-15-10)8-2-1-3-9(22(14,20)21)11(8)12-16-18-19-17-12/h1-6,12,16-19H,(H2,14,20,21).
What are the key properties of 3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 324.34 g/mol, XLogP of -0.35, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).