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

C18H21N3O4S — CID 9012894

IUPAC4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
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)/b20-13-
InChIKeyQGLQBTMKYGPHAN-MOSHPQCFSA-N
MW375.45 g/mol
LogP2.91
Rot. Bonds8

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

4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid (PubChem CID 9012894) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
PubChem CID9012894
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
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)/b20-13-
InChIKeyQGLQBTMKYGPHAN-MOSHPQCFSA-N
XLogP2.91
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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]benzoate
CID 9012893
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
N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
CID 109058037
4-(2-hydroxyethylsulfamoyl)benzoic acid
CID 15944537
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
3-[(2Z)-2-[1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 6303601
2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17320825
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]benzoic acid?
The IUPAC name of 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid (CID 9012894) is 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid 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]benzoic acid?
The InChIKey is QGLQBTMKYGPHAN-MOSHPQCFSA-N. 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)/b20-13-.
What are the key properties of 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid?
4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid has a molecular weight of 375.45 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 9012894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).