N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide

C17H18N2O5S — CID 8617244

IUPACN'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C17H18N2O5S/c1-3-24-15-8-4-14(5-9-15)17(21)18-19-25(22,23)16-10-6-13(7-11-16)12(2)20/h4-11,19H,3H2,1-2H3,(H,18,21)
InChIKeyLJMILIAMSGOGLP-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.91
Rot. Bonds7

About N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide

N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide (PubChem CID 8617244) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
PubChem CID8617244
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C17H18N2O5S/c1-3-24-15-8-4-14(5-9-15)17(21)18-19-25(22,23)16-10-6-13(7-11-16)12(2)20/h4-11,19H,3H2,1-2H3,(H,18,21)
InChIKeyLJMILIAMSGOGLP-UHFFFAOYSA-N
XLogP1.91
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.91
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'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617286
4-ethoxy-N-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9492767
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide
CID 9244251
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-ethoxybenzohydrazide
CID 8617321
N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide
CID 8624005
N-[4-[[(4-methoxybenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 3390773
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24575206

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide?
The IUPAC name of N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide (CID 8617244) is N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide.
What is the SMILES notation for N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide?
The canonical SMILES for N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide?
The InChIKey is LJMILIAMSGOGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-3-24-15-8-4-14(5-9-15)17(21)18-19-25(22,23)16-10-6-13(7-11-16)12(2)20/h4-11,19H,3H2,1-2H3,(H,18,21).
What are the key properties of N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide?
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide has a molecular weight of 362.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide is sourced from PubChem (CID 8617244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).