ethyl 4-(hydrazinesulfonyl)benzoate

C9H12N2O4S — CID 19755145

IUPACethyl 4-(hydrazinesulfonyl)benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NN)cc1
InChIInChI=1S/C9H12N2O4S/c1-2-15-9(12)7-3-5-8(6-4-7)16(13,14)11-10/h3-6,11H,2,10H2,1H3
InChIKeyQHEKOEKOWFGCLH-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.02
Rot. Bonds4

About ethyl 4-(hydrazinesulfonyl)benzoate

ethyl 4-(hydrazinesulfonyl)benzoate (PubChem CID 19755145) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is ethyl 4-(hydrazinesulfonyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(hydrazinesulfonyl)benzoate
PubChem CID19755145
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Nameethyl 4-(hydrazinesulfonyl)benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NN)cc1
InChIInChI=1S/C9H12N2O4S/c1-2-15-9(12)7-3-5-8(6-4-7)16(13,14)11-10/h3-6,11H,2,10H2,1H3
InChIKeyQHEKOEKOWFGCLH-UHFFFAOYSA-N
XLogP0.02
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-(carbamoylsulfamoyl)phenyl]benzoate
CID 110453940
ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
CID 115992104
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716763
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
ethyl 4-[(N-phenylanilino)sulfamoyl]benzoate
CID 2405740
(2S,3S)-2-[(4-ethoxycarbonylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 119126274
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate
CID 115754497

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(hydrazinesulfonyl)benzoate?
The IUPAC name of ethyl 4-(hydrazinesulfonyl)benzoate (CID 19755145) is ethyl 4-(hydrazinesulfonyl)benzoate.
What is the SMILES notation for ethyl 4-(hydrazinesulfonyl)benzoate?
The canonical SMILES for ethyl 4-(hydrazinesulfonyl)benzoate is CCOC(=O)c1ccc(S(=O)(=O)NN)cc1.
What is the InChIKey of ethyl 4-(hydrazinesulfonyl)benzoate?
The InChIKey is QHEKOEKOWFGCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-2-15-9(12)7-3-5-8(6-4-7)16(13,14)11-10/h3-6,11H,2,10H2,1H3.
What are the key properties of ethyl 4-(hydrazinesulfonyl)benzoate?
ethyl 4-(hydrazinesulfonyl)benzoate has a molecular weight of 244.27 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(hydrazinesulfonyl)benzoate is sourced from PubChem (CID 19755145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).