2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide

C15H11ClF2N2O2S — CID 35930248

IUPAC2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H11ClF2N2O2S/c16-12-4-2-1-3-11(12)14(22)20-19-13(21)9-5-7-10(8-6-9)23-15(17)18/h1-8,15H,(H,19,21)(H,20,22)
InChIKeyYYNGJKXSOLXFIA-UHFFFAOYSA-N
MW356.78 g/mol
LogP3.73
Rot. Bonds4

About 2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide

2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide (PubChem CID 35930248) has the molecular formula C15H11ClF2N2O2S and a molecular weight of 356.78 g/mol. Its IUPAC name is 2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide
PubChem CID35930248
Molecular FormulaC15H11ClF2N2O2S
Molecular Weight356.78 g/mol
Exact Mass356.02
IUPAC Name2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H11ClF2N2O2S/c16-12-4-2-1-3-11(12)14(22)20-19-13(21)9-5-7-10(8-6-9)23-15(17)18/h1-8,15H,(H,19,21)(H,20,22)
InChIKeyYYNGJKXSOLXFIA-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 53.73
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

2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 35932014
N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide
CID 60572220
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide
CID 42030004
N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 51148209
2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide
CID 35929254
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide
CID 18269959
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
CID 4852232
2-chloro-N'-[4-(2-methoxyethoxy)benzoyl]benzohydrazide
CID 17353590
N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 1145926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide (CID 35930248) is 2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccccc1Cl)c1ccc(SC(F)F)cc1.
What is the InChIKey of 2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide?
The InChIKey is YYNGJKXSOLXFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2S/c16-12-4-2-1-3-11(12)14(22)20-19-13(21)9-5-7-10(8-6-9)23-15(17)18/h1-8,15H,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide?
2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide has a molecular weight of 356.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide is sourced from PubChem (CID 35930248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).