2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide

C15H14N2O3S — CID 8934553

IUPAC2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
SMILESO=C(CSc1ccccc1)NNC(=O)c1ccccc1O
InChIInChI=1S/C15H14N2O3S/c18-13-9-5-4-8-12(13)15(20)17-16-14(19)10-21-11-6-2-1-3-7-11/h1-9,18H,10H2,(H,16,19)(H,17,20)
InChIKeyRCDPALVMTDTXFX-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.95
Rot. Bonds4

About 2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide

2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide (PubChem CID 8934553) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
PubChem CID8934553
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
SMILESO=C(CSc1ccccc1)NNC(=O)c1ccccc1O
InChIInChI=1S/C15H14N2O3S/c18-13-9-5-4-8-12(13)15(20)17-16-14(19)10-21-11-6-2-1-3-7-11/h1-9,18H,10H2,(H,16,19)(H,17,20)
InChIKeyRCDPALVMTDTXFX-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
The IUPAC name of 2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide (CID 8934553) is 2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
The canonical SMILES for 2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide is O=C(CSc1ccccc1)NNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
The InChIKey is RCDPALVMTDTXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-13-9-5-4-8-12(13)15(20)17-16-14(19)10-21-11-6-2-1-3-7-11/h1-9,18H,10H2,(H,16,19)(H,17,20).
What are the key properties of 2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide has a molecular weight of 302.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide is sourced from PubChem (CID 8934553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).