4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide

C15H12ClFN2O2S — CID 2080565

IUPAC4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccc(F)cc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFN2O2S/c16-11-3-1-10(2-4-11)15(21)19-18-14(20)9-22-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyFOFLZWUMBXEITG-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.03
Rot. Bonds4

About 4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide

4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide (PubChem CID 2080565) has the molecular formula C15H12ClFN2O2S and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide
PubChem CID2080565
Molecular FormulaC15H12ClFN2O2S
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC Name4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccc(F)cc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFN2O2S/c16-11-3-1-10(2-4-11)15(21)19-18-14(20)9-22-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyFOFLZWUMBXEITG-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.03
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

1-Benzoyl-2-(4-chlorobenzoyl)hydrazine
CID 256404
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 2210626
3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 7918359
2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide
CID 9402867
2-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 24982724
N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide
CID 134581202
1,2-Bis(4-chlorobenzoyl)-hydrazine
CID 246843
N'-{2-[(2-chlorobenzyl)thio]acetyl}benzohydrazide
CID 2221364
4-chloro-N'-(3-phenylpropanoyl)benzohydrazide
CID 3108837
4-chloro-N-[2-(2-fluorophenyl)sulfanylacetyl]benzamide
CID 2443912
N'1-(4-chlorobenzoyl)-3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carbohydrazide
CID 2820128
N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide
CID 4791214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide (CID 2080565) is 4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide is O=C(CSc1ccc(F)cc1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is FOFLZWUMBXEITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S/c16-11-3-1-10(2-4-11)15(21)19-18-14(20)9-22-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide?
4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 338.79 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(4-fluorophenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 2080565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).