4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide

C16H13F3N2O2S — CID 9086775

IUPAC4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O2S/c1-10-2-4-11(5-3-10)14(22)20-21-15(23)12-6-8-13(9-7-12)24-16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyBDHAAMFNKYESJJ-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.68
Rot. Bonds3

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

4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide (PubChem CID 9086775) has the molecular formula C16H13F3N2O2S and a molecular weight of 354.35 g/mol. Its IUPAC name is 4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
PubChem CID9086775
Molecular FormulaC16H13F3N2O2S
Molecular Weight354.35 g/mol
Exact Mass354.06
IUPAC Name4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O2S/c1-10-2-4-11(5-3-10)14(22)20-21-15(23)12-6-8-13(9-7-12)24-16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyBDHAAMFNKYESJJ-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide?
The IUPAC name of 4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide (CID 9086775) is 4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide.
What is the SMILES notation for 4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide?
The canonical SMILES for 4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide?
The InChIKey is BDHAAMFNKYESJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2S/c1-10-2-4-11(5-3-10)14(22)20-21-15(23)12-6-8-13(9-7-12)24-16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide?
4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide has a molecular weight of 354.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide is sourced from PubChem (CID 9086775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).