ethyl 4-hydrazinyl-2-sulfamoylbenzoate

C9H13N3O4S — CID 14837219

IUPACethyl 4-hydrazinyl-2-sulfamoylbenzoate
SMILESCCOC(=O)c1ccc(NN)cc1S(N)(=O)=O
InChIInChI=1S/C9H13N3O4S/c1-2-16-9(13)7-4-3-6(12-10)5-8(7)17(11,14)15/h3-5,12H,2,10H2,1H3,(H2,11,14,15)
InChIKeyNDDRBBIKNGENDB-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.20
Rot. Bonds4

About ethyl 4-hydrazinyl-2-sulfamoylbenzoate

ethyl 4-hydrazinyl-2-sulfamoylbenzoate (PubChem CID 14837219) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is ethyl 4-hydrazinyl-2-sulfamoylbenzoate.

Molecular Properties

Compound Nameethyl 4-hydrazinyl-2-sulfamoylbenzoate
PubChem CID14837219
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Nameethyl 4-hydrazinyl-2-sulfamoylbenzoate
SMILESCCOC(=O)c1ccc(NN)cc1S(N)(=O)=O
InChIInChI=1S/C9H13N3O4S/c1-2-16-9(13)7-4-3-6(12-10)5-8(7)17(11,14)15/h3-5,12H,2,10H2,1H3,(H2,11,14,15)
InChIKeyNDDRBBIKNGENDB-UHFFFAOYSA-N
XLogP-0.20
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-(difluoromethoxy)-4-hydrazinylbenzoate
CID 134642092
ethyl 5-hydrazinyl-2-iodobenzoate
CID 130775053
ethyl 5-iodo-2-sulfamoylbenzoate
CID 19376834
ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate
CID 134640978
methyl 4-(2-ethylidenehydrazinyl)-2-sulfamoylbenzoate
CID 67617059
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
ethyl 2,5-dibromo-3-sulfamoylbenzoate
CID 114375929
ethyl 2-hydroxy-5-sulfamoylbenzoate
CID 21312229
ethyl 5-(methanesulfonamido)-2-methylbenzoate
CID 59066715
methyl 2-sulfamoyl-4-[2-(2,2,2-trifluoroethylidene)hydrazinyl]benzoate
CID 67792091
ethyl 2-(ethylsulfamoyl)benzoate
CID 18338374
ethyl 2-bromo-5-sulfamoylbenzoate
CID 43828339

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydrazinyl-2-sulfamoylbenzoate?
The IUPAC name of ethyl 4-hydrazinyl-2-sulfamoylbenzoate (CID 14837219) is ethyl 4-hydrazinyl-2-sulfamoylbenzoate.
What is the SMILES notation for ethyl 4-hydrazinyl-2-sulfamoylbenzoate?
The canonical SMILES for ethyl 4-hydrazinyl-2-sulfamoylbenzoate is CCOC(=O)c1ccc(NN)cc1S(N)(=O)=O.
What is the InChIKey of ethyl 4-hydrazinyl-2-sulfamoylbenzoate?
The InChIKey is NDDRBBIKNGENDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-2-16-9(13)7-4-3-6(12-10)5-8(7)17(11,14)15/h3-5,12H,2,10H2,1H3,(H2,11,14,15).
What are the key properties of ethyl 4-hydrazinyl-2-sulfamoylbenzoate?
ethyl 4-hydrazinyl-2-sulfamoylbenzoate has a molecular weight of 259.29 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydrazinyl-2-sulfamoylbenzoate is sourced from PubChem (CID 14837219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).