4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate

C18H20N3O4S- — CID 9012893

IUPAC4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate
SMILESCCCNS(=O)(=O)c1ccc(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-3-12-19-26(24,25)17-10-6-14(7-11-17)13(2)20-21-16-8-4-15(5-9-16)18(22)23/h4-11,19,21H,3,12H2,1-2H3,(H,22,23)/p-1/b20-13-
InChIKeyQGLQBTMKYGPHAN-MOSHPQCFSA-M
MW374.44 g/mol
LogP1.57
Rot. Bonds8

About 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate

4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate (PubChem CID 9012893) has the molecular formula C18H20N3O4S- and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate
PubChem CID9012893
Molecular FormulaC18H20N3O4S-
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate
SMILESCCCNS(=O)(=O)c1ccc(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-3-12-19-26(24,25)17-10-6-14(7-11-17)13(2)20-21-16-8-4-15(5-9-16)18(22)23/h4-11,19,21H,3,12H2,1-2H3,(H,22,23)/p-1/b20-13-
InChIKeyQGLQBTMKYGPHAN-MOSHPQCFSA-M
XLogP1.57
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 9012894
4-[[4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]phenyl]sulfonylamino]butanoate
CID 9076361
4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide
CID 9077260
4-[(E)-N-ethoxy-C-methylcarbonimidoyl]-N-propylbenzenesulfonamide
CID 42924870
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012896
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
4-(3-carboxylatopropylsulfamoyl)benzoate
CID 2141978
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
4-[(Z)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methylcarbonimidoyl]-N-propylbenzenesulfonamide
CID 9409163
N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
CID 109058037
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate (CID 9012893) is 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate is CCCNS(=O)(=O)c1ccc(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate?
The InChIKey is QGLQBTMKYGPHAN-MOSHPQCFSA-M. The full InChI is InChI=1S/C18H21N3O4S/c1-3-12-19-26(24,25)17-10-6-14(7-11-17)13(2)20-21-16-8-4-15(5-9-16)18(22)23/h4-11,19,21H,3,12H2,1-2H3,(H,22,23)/p-1/b20-13-.
What are the key properties of 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate has a molecular weight of 374.44 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate is sourced from PubChem (CID 9012893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).