4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide

C17H20N4O4S — CID 9077260

IUPAC4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(/C(C)=N\Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H20N4O4S/c1-3-11-18-26(24,25)17-9-7-14(8-10-17)13(2)19-20-15-5-4-6-16(12-15)21(22)23/h4-10,12,18,20H,3,11H2,1-2H3/b19-13-
InChIKeyZODJQVJFUKNGBK-UYRXBGFRSA-N
MW376.44 g/mol
LogP3.12
Rot. Bonds8

About 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide

4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide (PubChem CID 9077260) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide
PubChem CID9077260
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(/C(C)=N\Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H20N4O4S/c1-3-11-18-26(24,25)17-9-7-14(8-10-17)13(2)19-20-15-5-4-6-16(12-15)21(22)23/h4-10,12,18,20H,3,11H2,1-2H3/b19-13-
InChIKeyZODJQVJFUKNGBK-UYRXBGFRSA-N
XLogP3.12
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 9012894
4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate
CID 9012893
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-3-nitroaniline
CID 9077213
3-nitro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 46566982
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-nitroaniline
CID 6079372
4-[(E)-N-ethoxy-C-methylcarbonimidoyl]-N-propylbenzenesulfonamide
CID 42924870
1-[4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]phenyl]pyrrolidin-2-one
CID 8973239
3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline
CID 9077469
ethyl (2E)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
CID 5357576
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 3974625
N-[1-(furan-2-yl)ethylideneamino]-3-nitroaniline
CID 3873452
4-[[4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]phenyl]sulfonylamino]butanoate
CID 9076361

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide (CID 9077260) is 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(/C(C)=N\Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide?
The InChIKey is ZODJQVJFUKNGBK-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-3-11-18-26(24,25)17-9-7-14(8-10-17)13(2)19-20-15-5-4-6-16(12-15)21(22)23/h4-10,12,18,20H,3,11H2,1-2H3/b19-13-.
What are the key properties of 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide?
4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 9077260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).