2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide

C15H11F2N3O4S — CID 8614297

IUPAC2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H11F2N3O4S/c16-11-3-6-14(13(17)7-11)25(22,23)20-19-15(21)9-24-12-4-1-10(8-18)2-5-12/h1-7,20H,9H2,(H,19,21)
InChIKeyRCJHRMCEGMVIBE-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.22
Rot. Bonds6

About 2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide

2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide (PubChem CID 8614297) has the molecular formula C15H11F2N3O4S and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
PubChem CID8614297
Molecular FormulaC15H11F2N3O4S
Molecular Weight367.33 g/mol
Exact Mass367.04
IUPAC Name2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H11F2N3O4S/c16-11-3-6-14(13(17)7-11)25(22,23)20-19-15(21)9-24-12-4-1-10(8-18)2-5-12/h1-7,20H,9H2,(H,19,21)
InChIKeyRCJHRMCEGMVIBE-UHFFFAOYSA-N
XLogP1.22
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 8614364
2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8614315
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
(2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide
CID 9238081
methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395
2-(4-cyanophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 7961641
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
N'-(2,5-difluorophenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
CID 9236867
2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide (CID 8614297) is 2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide is N#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide?
The InChIKey is RCJHRMCEGMVIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O4S/c16-11-3-6-14(13(17)7-11)25(22,23)20-19-15(21)9-24-12-4-1-10(8-18)2-5-12/h1-7,20H,9H2,(H,19,21).
What are the key properties of 2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide?
2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide has a molecular weight of 367.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8614297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).