2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide

C14H12F2N2O4S — CID 8505982

IUPAC2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(COc1cccc(F)c1)NNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H12F2N2O4S/c15-10-3-1-5-12(7-10)22-9-14(19)17-18-23(20,21)13-6-2-4-11(16)8-13/h1-8,18H,9H2,(H,17,19)
InChIKeyUFVQGYHTMCGPLQ-UHFFFAOYSA-N
MW342.32 g/mol
LogP1.35
Rot. Bonds6

About 2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide

2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide (PubChem CID 8505982) has the molecular formula C14H12F2N2O4S and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
PubChem CID8505982
Molecular FormulaC14H12F2N2O4S
Molecular Weight342.32 g/mol
Exact Mass342.05
IUPAC Name2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(COc1cccc(F)c1)NNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H12F2N2O4S/c15-10-3-1-5-12(7-10)22-9-14(19)17-18-23(20,21)13-6-2-4-11(16)8-13/h1-8,18H,9H2,(H,17,19)
InChIKeyUFVQGYHTMCGPLQ-UHFFFAOYSA-N
XLogP1.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 8506063
N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 9236694
2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8506094
2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8614158
N'-[2-(3-fluorophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 2670466
N,N-diethyl-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2709558
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
CID 39340829
2-fluoro-N'-[2-(3-fluorophenoxy)acetyl]benzohydrazide
CID 2709557
N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8614258

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide (CID 8505982) is 2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide is O=C(COc1cccc(F)c1)NNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
The InChIKey is UFVQGYHTMCGPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4S/c15-10-3-1-5-12(7-10)22-9-14(19)17-18-23(20,21)13-6-2-4-11(16)8-13/h1-8,18H,9H2,(H,17,19).
What are the key properties of 2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide has a molecular weight of 342.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8505982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).