methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate

C18H19N3O5S — CID 9360011

IUPACmethyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H19N3O5S/c1-21(2)27(24,25)16-6-4-5-15(11-16)17(22)20-19-12-13-7-9-14(10-8-13)18(23)26-3/h4-12H,1-3H3,(H,20,22)/b19-12-
InChIKeyLBCSUDRRAHELEN-UNOMPAQXSA-N
MW389.43 g/mol
LogP1.49
Rot. Bonds6

About methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate

methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate (PubChem CID 9360011) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate
PubChem CID9360011
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Namemethyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H19N3O5S/c1-21(2)27(24,25)16-6-4-5-15(11-16)17(22)20-19-12-13-7-9-14(10-8-13)18(23)26-3/h4-12H,1-3H3,(H,20,22)/b19-12-
InChIKeyLBCSUDRRAHELEN-UNOMPAQXSA-N
XLogP1.49
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
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

N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359889
3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 9359955
3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 9359854
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359899
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359895
methyl 4-[[[4-[[(4-methoxycarbonylphenyl)methylideneamino]carbamoyl]phenyl]hydrazinylidene]methyl]benzoate
CID 4090499
methyl 4-[[(3-bromo-4-hydroxybenzoyl)hydrazinylidene]methyl]benzoate
CID 4207457
N-[(4-hydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2361346
methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
CID 3669406
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
methyl 4-[(Z)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoate
CID 5402097
3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
CID 9359935

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate (CID 9360011) is methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(/C=N\NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate?
The InChIKey is LBCSUDRRAHELEN-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-21(2)27(24,25)16-6-4-5-15(11-16)17(22)20-19-12-13-7-9-14(10-8-13)18(23)26-3/h4-12H,1-3H3,(H,20,22)/b19-12-.
What are the key properties of methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate?
methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate has a molecular weight of 389.43 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 9360011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).