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

C12H13FN6O2S — CID 134823509

IUPAC3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cncc(F)c2)c1C1NNNN1
InChIInChI=1S/C12H13FN6O2S/c13-8-4-7(5-15-6-8)9-2-1-3-10(22(14,20)21)11(9)12-16-18-19-17-12/h1-6,12,16-19H,(H2,14,20,21)
InChIKeyPUODNPOLMOOZNP-UHFFFAOYSA-N
MW324.34 g/mol
LogP-0.35
Rot. Bonds3

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

3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823509) has the molecular formula C12H13FN6O2S and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823509
Molecular FormulaC12H13FN6O2S
Molecular Weight324.34 g/mol
Exact Mass324.08
IUPAC Name3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cncc(F)c2)c1C1NNNN1
InChIInChI=1S/C12H13FN6O2S/c13-8-4-7(5-15-6-8)9-2-1-3-10(22(14,20)21)11(9)12-16-18-19-17-12/h1-6,12,16-19H,(H2,14,20,21)
InChIKeyPUODNPOLMOOZNP-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

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Related Compounds

3-pyridin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266627
3-(Isoquinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823642
5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl)isoquinoline 2-oxide
CID 134823643
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-amino-5-fluoropyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266107
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-(6-fluoro-2-methylpyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823507
3-(6-aminopyridin-3-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823587
3-(2-(5-Amino-6-(aminomethyl)pyridin-3-yl)ethyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823640

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823509) is 3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cncc(F)c2)c1C1NNNN1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is PUODNPOLMOOZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN6O2S/c13-8-4-7(5-15-6-8)9-2-1-3-10(22(14,20)21)11(9)12-16-18-19-17-12/h1-6,12,16-19H,(H2,14,20,21).
What are the key properties of 3-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(5-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-(5-fluoro-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).