4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide

C14H11N7O2S — CID 144893655

IUPAC4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide
SMILESNS(=O)c1nccc(-c2ccc3c(c2)CNC3=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H11N7O2S/c15-24(23)14-11(12-18-20-21-19-12)9(3-4-16-14)7-1-2-10-8(5-7)6-17-13(10)22/h1-5H,6,15H2,(H,17,22)(H,18,19,20,21)
InChIKeyFRNHLPVXMMUEBW-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.15
Rot. Bonds3

About 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide

4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide (PubChem CID 144893655) has the molecular formula C14H11N7O2S and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide.

Molecular Properties

Compound Name4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide
PubChem CID144893655
Molecular FormulaC14H11N7O2S
Molecular Weight341.36 g/mol
Exact Mass341.07
IUPAC Name4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide
SMILESNS(=O)c1nccc(-c2ccc3c(c2)CNC3=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H11N7O2S/c15-24(23)14-11(12-18-20-21-19-12)9(3-4-16-14)7-1-2-10-8(5-7)6-17-13(10)22/h1-5H,6,15H2,(H,17,22)(H,18,19,20,21)
InChIKeyFRNHLPVXMMUEBW-UHFFFAOYSA-N
XLogP0.15
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide with MolForge

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Related Compounds

4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide
CID 118257170
N-Cyclopropyl-4-(2-sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118257239
4-(1-oxoisoindolin-5-yl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265338
4-(2-oxo-1,3-dihydroindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266590
3-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118266593
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694146
5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2,3-dihydroisoindol-1-one
CID 122694151
N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694157
3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694189
N,N'-diamino-2-aminosulfanyl-4-(1-oxo-2,3-dihydroisoindol-5-yl)pyridine-3-carboximidamide
CID 144893406
5-[2-aminosulfanyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2,3-dihydroisoindol-1-one
CID 144893569

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide?
The IUPAC name of 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide (CID 144893655) is 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide.
What is the SMILES notation for 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide?
The canonical SMILES for 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide is NS(=O)c1nccc(-c2ccc3c(c2)CNC3=O)c1-c1nn[nH]n1.
What is the InChIKey of 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide?
The InChIKey is FRNHLPVXMMUEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O2S/c15-24(23)14-11(12-18-20-21-19-12)9(3-4-16-14)7-1-2-10-8(5-7)6-17-13(10)22/h1-5H,6,15H2,(H,17,22)(H,18,19,20,21).
What are the key properties of 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide?
4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide has a molecular weight of 341.36 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide is sourced from PubChem (CID 144893655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).