2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide

C15H11Cl2N3O4S — CID 8614315

IUPAC2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H11Cl2N3O4S/c16-11-3-6-13(17)14(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)
InChIKeyUCNLAKDBQLIOAB-UHFFFAOYSA-N
MW400.24 g/mol
LogP2.25
Rot. Bonds6

About 2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide

2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide (PubChem CID 8614315) has the molecular formula C15H11Cl2N3O4S and a molecular weight of 400.24 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
PubChem CID8614315
Molecular FormulaC15H11Cl2N3O4S
Molecular Weight400.24 g/mol
Exact Mass398.98
IUPAC Name2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H11Cl2N3O4S/c16-11-3-6-13(17)14(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)
InChIKeyUCNLAKDBQLIOAB-UHFFFAOYSA-N
XLogP2.25
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 52.25
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
N'-(2,5-dichlorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505751
2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
CID 8614297
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491
N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide
CID 8500499
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide
CID 9316609
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8500705
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide (CID 8614315) is 2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide is N#Cc1ccc(OCC(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide?
The InChIKey is UCNLAKDBQLIOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4S/c16-11-3-6-13(17)14(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'-(2,5-dichlorophenyl)sulfonylacetohydrazide?
2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide has a molecular weight of 400.24 g/mol, XLogP of 2.25, 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'-(2,5-dichlorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8614315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).