3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide

C16H14F2N2O2S — CID 24642949

IUPAC3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H14F2N2O2S/c1-10-2-4-14(5-3-10)23-9-15(21)19-20-16(22)11-6-12(17)8-13(18)7-11/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyJKSBRJATJNRAMY-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.83
Rot. Bonds4

About 3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide

3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide (PubChem CID 24642949) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
PubChem CID24642949
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H14F2N2O2S/c1-10-2-4-14(5-3-10)23-9-15(21)19-20-16(22)11-6-12(17)8-13(18)7-11/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyJKSBRJATJNRAMY-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.83
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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Related Compounds

N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616798
2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 9157672
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]benzenesulfonamide
CID 24642899
4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7970230
N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31469976
4-fluoro-N-[3-methyl-1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 18282748
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
tert-butyl N-[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamate
CID 2219793
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide (CID 24642949) is 3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide is Cc1ccc(SCC(=O)NNC(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is JKSBRJATJNRAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c1-10-2-4-14(5-3-10)23-9-15(21)19-20-16(22)11-6-12(17)8-13(18)7-11/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 336.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 24642949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).