4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide

C22H23N3O4S — CID 121473240

IUPAC4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N/N=C(/C)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-16(23-24-18-6-10-20(28-2)11-7-18)17-4-14-22(15-5-17)30(26,27)25-19-8-12-21(29-3)13-9-19/h4-15,24-25H,1-3H3/b23-16-
InChIKeyRWXPSPVGIKVYDG-KQWNVCNZSA-N
MW425.51 g/mol
LogP4.34
Rot. Bonds8

About 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide

4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 121473240) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID121473240
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N/N=C(/C)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-16(23-24-18-6-10-20(28-2)11-7-18)17-4-14-22(15-5-17)30(26,27)25-19-8-12-21(29-3)13-9-19/h4-15,24-25H,1-3H3/b23-16-
InChIKeyRWXPSPVGIKVYDG-KQWNVCNZSA-N
XLogP4.34
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.34
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'}

Analyze 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide 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-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 7950665
N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9121690
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
ethyl N-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]carbamate
CID 9075807
1-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]-3-propan-2-ylthiourea
CID 7934545
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409663
[(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate
CID 53243732
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
1-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6382816
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 121473240) is 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N/N=C(/C)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is RWXPSPVGIKVYDG-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16(23-24-18-6-10-20(28-2)11-7-18)17-4-14-22(15-5-17)30(26,27)25-19-8-12-21(29-3)13-9-19/h4-15,24-25H,1-3H3/b23-16-.
What are the key properties of 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 425.51 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 121473240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).