3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide

C14H14N2O2S — CID 55213516

IUPAC3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1cccc(CSc2ccccc2O)c1
InChIInChI=1S/C14H14N2O2S/c15-16-14(18)11-5-3-4-10(8-11)9-19-13-7-2-1-6-12(13)17/h1-8,17H,9,15H2,(H,16,18)
InChIKeyYWJOVKIZACUFFJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.29
Rot. Bonds4

About 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide

3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide (PubChem CID 55213516) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
PubChem CID55213516
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1cccc(CSc2ccccc2O)c1
InChIInChI=1S/C14H14N2O2S/c15-16-14(18)11-5-3-4-10(8-11)9-19-13-7-2-1-6-12(13)17/h1-8,17H,9,15H2,(H,16,18)
InChIKeyYWJOVKIZACUFFJ-UHFFFAOYSA-N
XLogP2.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 63582189
3-[(2-amino-4-bromophenyl)sulfanylmethyl]benzohydrazide
CID 63589210
3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63581182
3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336
4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 107459185
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
3-(thiophen-2-ylsulfanylmethyl)benzohydrazide
CID 63580079
5-[(2-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63589044
3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 79515162
3-[(2-aminophenyl)sulfanylmethyl]benzoic acid
CID 61317411
3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide
CID 66242468
3-[(4-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79148671

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide (CID 55213516) is 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide is NNC(=O)c1cccc(CSc2ccccc2O)c1.
What is the InChIKey of 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide?
The InChIKey is YWJOVKIZACUFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-16-14(18)11-5-3-4-10(8-11)9-19-13-7-2-1-6-12(13)17/h1-8,17H,9,15H2,(H,16,18).
What are the key properties of 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide?
3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide has a molecular weight of 274.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 55213516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).