N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide

C15H11Cl2N3O4S — CID 8500499

IUPACN'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESN#Cc1cccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H11Cl2N3O4S/c16-11-4-5-14(13(17)7-11)24-9-15(21)19-20-25(22,23)12-3-1-2-10(6-12)8-18/h1-7,20H,9H2,(H,19,21)
InChIKeyGWBSFWXZBXWLOV-UHFFFAOYSA-N
MW400.24 g/mol
LogP2.25
Rot. Bonds6

About N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide

N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide (PubChem CID 8500499) has the molecular formula C15H11Cl2N3O4S and a molecular weight of 400.24 g/mol. Its IUPAC name is N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide
PubChem CID8500499
Molecular FormulaC15H11Cl2N3O4S
Molecular Weight400.24 g/mol
Exact Mass398.98
IUPAC NameN'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESN#Cc1cccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H11Cl2N3O4S/c16-11-4-5-14(13(17)7-11)24-9-15(21)19-20-25(22,23)12-3-1-2-10(6-12)8-18/h1-7,20H,9H2,(H,19,21)
InChIKeyGWBSFWXZBXWLOV-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'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8614258
2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8614315
(2,4-dichlorophenyl) 3-cyanobenzenesulfonate
CID 51169820
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5348553
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 8614364
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide
CID 45273664
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide?
The IUPAC name of N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide (CID 8500499) is N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide?
The canonical SMILES for N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide is N#Cc1cccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide?
The InChIKey is GWBSFWXZBXWLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4S/c16-11-4-5-14(13(17)7-11)24-9-15(21)19-20-25(22,23)12-3-1-2-10(6-12)8-18/h1-7,20H,9H2,(H,19,21).
What are the key properties of N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide?
N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide 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 N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide is sourced from PubChem (CID 8500499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).