N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide

C18H20F2N2O4S — CID 2094357

IUPACN'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide
SMILESC/C=C(/NNS(=O)(=O)c1ccc(OCC)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H20F2N2O4S/c1-3-17(13-5-7-15(8-6-13)26-18(19)20)21-22-27(23,24)16-11-9-14(10-12-16)25-4-2/h3,5-12,18,21-22H,4H2,1-2H3/b17-3+
InChIKeyJJZLXTJHTNVOQY-IJUHEHPCSA-N
MW398.43 g/mol
LogP3.53
Rot. Bonds9

About N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide

N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide (PubChem CID 2094357) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide
PubChem CID2094357
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide
SMILESC/C=C(/NNS(=O)(=O)c1ccc(OCC)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H20F2N2O4S/c1-3-17(13-5-7-15(8-6-13)26-18(19)20)21-22-27(23,24)16-11-9-14(10-12-16)25-4-2/h3,5-12,18,21-22H,4H2,1-2H3/b17-3+
InChIKeyJJZLXTJHTNVOQY-IJUHEHPCSA-N
XLogP3.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.53
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

4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 6900782
2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 55353301
N-[4-(difluoromethoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 9405047
N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617286
N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-2-(2-methoxyphenoxy)acetohydrazide
CID 2379796
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
4-[[(4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzoic acid
CID 45477229
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide?
The IUPAC name of N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide (CID 2094357) is N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide.
What is the SMILES notation for N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide?
The canonical SMILES for N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide is C/C=C(/NNS(=O)(=O)c1ccc(OCC)cc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide?
The InChIKey is JJZLXTJHTNVOQY-IJUHEHPCSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-3-17(13-5-7-15(8-6-13)26-18(19)20)21-22-27(23,24)16-11-9-14(10-12-16)25-4-2/h3,5-12,18,21-22H,4H2,1-2H3/b17-3+.
What are the key properties of N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide?
N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide has a molecular weight of 398.43 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide is sourced from PubChem (CID 2094357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).