2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide

C15H14F2N2OS — CID 9480197

IUPAC2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide
SMILESCN(NC(=O)CSc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C15H14F2N2OS/c1-19(12-5-3-2-4-6-12)18-15(20)10-21-14-9-11(16)7-8-13(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyPRAXDSKPIQXDLH-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.22
Rot. Bonds5

About 2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide

2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide (PubChem CID 9480197) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide
PubChem CID9480197
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide
SMILESCN(NC(=O)CSc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C15H14F2N2OS/c1-19(12-5-3-2-4-6-12)18-15(20)10-21-14-9-11(16)7-8-13(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyPRAXDSKPIQXDLH-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 9483105
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide
CID 9320723
N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9045802
2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9044613
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 9045999
1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
CID 63905359
3,5-difluoro-N'-methyl-N'-phenylbenzohydrazide
CID 9479852
2-(2,5-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9155685

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide (CID 9480197) is 2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide is CN(NC(=O)CSc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide?
The InChIKey is PRAXDSKPIQXDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c1-19(12-5-3-2-4-6-12)18-15(20)10-21-14-9-11(16)7-8-13(14)17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide?
2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide has a molecular weight of 308.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide is sourced from PubChem (CID 9480197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).