N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide

C8H8ClFN2O3S — CID 8500712

IUPACN'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFN2O3S/c1-5(13)11-12-16(14,15)6-2-3-8(10)7(9)4-6/h2-4,12H,1H3,(H,11,13)
InChIKeyBHOWLSILUYEWRO-UHFFFAOYSA-N
MW266.68 g/mol
LogP0.81
Rot. Bonds3

About N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide

N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide (PubChem CID 8500712) has the molecular formula C8H8ClFN2O3S and a molecular weight of 266.68 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide
PubChem CID8500712
Molecular FormulaC8H8ClFN2O3S
Molecular Weight266.68 g/mol
Exact Mass265.99
IUPAC NameN'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFN2O3S/c1-5(13)11-12-16(14,15)6-2-3-8(10)7(9)4-6/h2-4,12H,1H3,(H,11,13)
InChIKeyBHOWLSILUYEWRO-UHFFFAOYSA-N
XLogP0.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 50.81
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 N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide (CID 8500712) is N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide is CC(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide?
The InChIKey is BHOWLSILUYEWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O3S/c1-5(13)11-12-16(14,15)6-2-3-8(10)7(9)4-6/h2-4,12H,1H3,(H,11,13).
What are the key properties of N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide?
N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide has a molecular weight of 266.68 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8500712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).