2-hydroxysulfanylbenzamide

C7H7NO2S — CID 57283910

IUPAC2-hydroxysulfanylbenzamide
SMILESNC(=O)c1ccccc1SO
InChIInChI=1S/C7H7NO2S/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,10H,(H2,8,9)
InChIKeyYNOUGPQVUDDGGR-UHFFFAOYSA-N
MW169.21 g/mol
LogP1.35
Rot. Bonds2

About 2-hydroxysulfanylbenzamide

2-hydroxysulfanylbenzamide (PubChem CID 57283910) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-hydroxysulfanylbenzamide.

Molecular Properties

Compound Name2-hydroxysulfanylbenzamide
PubChem CID57283910
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name2-hydroxysulfanylbenzamide
SMILESNC(=O)c1ccccc1SO
InChIInChI=1S/C7H7NO2S/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,10H,(H2,8,9)
InChIKeyYNOUGPQVUDDGGR-UHFFFAOYSA-N
XLogP1.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 22351612
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CID 12196680
1,2-benzisothiazol-3(2H)-one 1-oxide
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CID 18513146

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanylbenzamide?
The IUPAC name of 2-hydroxysulfanylbenzamide (CID 57283910) is 2-hydroxysulfanylbenzamide.
What is the SMILES notation for 2-hydroxysulfanylbenzamide?
The canonical SMILES for 2-hydroxysulfanylbenzamide is NC(=O)c1ccccc1SO.
What is the InChIKey of 2-hydroxysulfanylbenzamide?
The InChIKey is YNOUGPQVUDDGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,10H,(H2,8,9).
What are the key properties of 2-hydroxysulfanylbenzamide?
2-hydroxysulfanylbenzamide has a molecular weight of 169.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanylbenzamide is sourced from PubChem (CID 57283910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).