2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide

C9H9N5O2S — CID 12962773

IUPAC2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide
SMILESCSc1ccc(O)c(C(=O)Nc2nn[nH]n2)c1
InChIInChI=1S/C9H9N5O2S/c1-17-5-2-3-7(15)6(4-5)8(16)10-9-11-13-14-12-9/h2-4,15H,1H3,(H2,10,11,12,13,14,16)
InChIKeyGESMKOBFFPRXSF-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.88
Rot. Bonds3

About 2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide

2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 12962773) has the molecular formula C9H9N5O2S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide
PubChem CID12962773
Molecular FormulaC9H9N5O2S
Molecular Weight251.27 g/mol
Exact Mass251.05
IUPAC Name2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide
SMILESCSc1ccc(O)c(C(=O)Nc2nn[nH]n2)c1
InChIInChI=1S/C9H9N5O2S/c1-17-5-2-3-7(15)6(4-5)8(16)10-9-11-13-14-12-9/h2-4,15H,1H3,(H2,10,11,12,13,14,16)
InChIKeyGESMKOBFFPRXSF-UHFFFAOYSA-N
XLogP0.88
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide (CID 12962773) is 2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide is CSc1ccc(O)c(C(=O)Nc2nn[nH]n2)c1.
What is the InChIKey of 2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is GESMKOBFFPRXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S/c1-17-5-2-3-7(15)6(4-5)8(16)10-9-11-13-14-12-9/h2-4,15H,1H3,(H2,10,11,12,13,14,16).
What are the key properties of 2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide?
2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 251.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 12962773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).