4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate

C13H11N4O5S- — CID 71414234

IUPAC4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate
SMILESNS(=O)(=O)c1ccc(N(NN=O)c2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C13H12N4O5S/c14-23(21,22)12-7-5-11(6-8-12)17(15-16-20)10-3-1-9(2-4-10)13(18)19/h1-8H,(H,15,20)(H,18,19)(H2,14,21,22)/p-1
InChIKeyZTGHFMFZGUKPDR-UHFFFAOYSA-M
MW335.32 g/mol
LogP0.02
Rot. Bonds6

About 4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate

4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate (PubChem CID 71414234) has the molecular formula C13H11N4O5S- and a molecular weight of 335.32 g/mol. Its IUPAC name is 4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate.

Molecular Properties

Compound Name4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate
PubChem CID71414234
Molecular FormulaC13H11N4O5S-
Molecular Weight335.32 g/mol
Exact Mass335.05
IUPAC Name4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate
SMILESNS(=O)(=O)c1ccc(N(NN=O)c2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C13H12N4O5S/c14-23(21,22)12-7-5-11(6-8-12)17(15-16-20)10-3-1-9(2-4-10)13(18)19/h1-8H,(H,15,20)(H,18,19)(H2,14,21,22)/p-1
InChIKeyZTGHFMFZGUKPDR-UHFFFAOYSA-M
XLogP0.02
TPSA144.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

potassium 4-sulfamoylbenzoate
CID 23684074
dilithium;terephthalate
CID 14361651
4-sulfamoylbenzoyl iodide
CID 88945846
4-(N-(4-sulfamoylphenyl)anilino)benzoic acid
CID 174477700
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
N,4-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 61129425
dipotassium;4-sulfonatobenzoate
CID 112758441
magnesium 4-sulfonatobenzoate
CID 162314428
dipotassium;terephthalate
CID 25981
terephthalate;vanadium(4+)
CID 157213578
4-benzoylbenzenesulfonamide
CID 70209200
N-(hydrazinecarbonyl)-4-sulfamoylbenzamide
CID 91621577

Frequently Asked Questions

What is the IUPAC name of 4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate?
The IUPAC name of 4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate (CID 71414234) is 4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate.
What is the SMILES notation for 4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate?
The canonical SMILES for 4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate is NS(=O)(=O)c1ccc(N(NN=O)c2ccc(C(=O)[O-])cc2)cc1.
What is the InChIKey of 4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate?
The InChIKey is ZTGHFMFZGUKPDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N4O5S/c14-23(21,22)12-7-5-11(6-8-12)17(15-16-20)10-3-1-9(2-4-10)13(18)19/h1-8H,(H,15,20)(H,18,19)(H2,14,21,22)/p-1.
What are the key properties of 4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate?
4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate has a molecular weight of 335.32 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate is sourced from PubChem (CID 71414234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).