3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide

C15H11F3N2O3S — CID 17393067

IUPAC3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1cccc(O)c1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O3S/c16-15(17,18)24-12-6-4-9(5-7-12)13(22)19-20-14(23)10-2-1-3-11(21)8-10/h1-8,21H,(H,19,22)(H,20,23)
InChIKeyCTZAMIWBNVSPOD-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.08
Rot. Bonds3

About 3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide

3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide (PubChem CID 17393067) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is 3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
PubChem CID17393067
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Name3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1cccc(O)c1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O3S/c16-15(17,18)24-12-6-4-9(5-7-12)13(22)19-20-14(23)10-2-1-3-11(21)8-10/h1-8,21H,(H,19,22)(H,20,23)
InChIKeyCTZAMIWBNVSPOD-UHFFFAOYSA-N
XLogP3.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.08
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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Related Compounds

4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide
CID 100994103
3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide
CID 3442645
N-acetyl-3-hydroxybenzamide
CID 130011909
N-[3-(difluoromethoxy)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55742418
N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide
CID 18267359
N'-(2-chloroacetyl)-3-hydroxybenzohydrazide
CID 166407635
N-(2-acetamidoethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 30598296
3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 41141971
N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
CID 17392220
3-hydroxy-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933166

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide?
The IUPAC name of 3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide (CID 17393067) is 3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide.
What is the SMILES notation for 3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide?
The canonical SMILES for 3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide is O=C(NNC(=O)c1cccc(O)c1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide?
The InChIKey is CTZAMIWBNVSPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c16-15(17,18)24-12-6-4-9(5-7-12)13(22)19-20-14(23)10-2-1-3-11(21)8-10/h1-8,21H,(H,19,22)(H,20,23).
What are the key properties of 3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide?
3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide has a molecular weight of 356.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide is sourced from PubChem (CID 17393067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).