2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide

C9H9N5O2S — CID 140956956

IUPAC2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide
SMILESO=C(CS(=O)c1ccccc1)Nc1nn[nH]n1
InChIInChI=1S/C9H9N5O2S/c15-8(10-9-11-13-14-12-9)6-17(16)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13,14,15)
InChIKeyGKMRSILIBUQYBS-UHFFFAOYSA-N
MW251.27 g/mol
LogP-0.05
Rot. Bonds4

About 2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide

2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide (PubChem CID 140956956) has the molecular formula C9H9N5O2S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide
PubChem CID140956956
Molecular FormulaC9H9N5O2S
Molecular Weight251.27 g/mol
Exact Mass251.05
IUPAC Name2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide
SMILESO=C(CS(=O)c1ccccc1)Nc1nn[nH]n1
InChIInChI=1S/C9H9N5O2S/c15-8(10-9-11-13-14-12-9)6-17(16)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13,14,15)
InChIKeyGKMRSILIBUQYBS-UHFFFAOYSA-N
XLogP-0.05
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide (CID 140956956) is 2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide is O=C(CS(=O)c1ccccc1)Nc1nn[nH]n1.
What is the InChIKey of 2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide?
The InChIKey is GKMRSILIBUQYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S/c15-8(10-9-11-13-14-12-9)6-17(16)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13,14,15).
What are the key properties of 2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide?
2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide has a molecular weight of 251.27 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 140956956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).