[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate

C23H23NO7S — CID 71904208

IUPAC[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C23H23NO7S/c1-24(32(26,27)20-12-10-18(28-2)11-13-20)17-6-8-19(9-7-17)31-23(25)16-5-14-21(29-3)22(15-16)30-4/h5-15H,1-4H3
InChIKeyVHQAULGPDBDQND-UHFFFAOYSA-N
MW457.50 g/mol
LogP3.76
Rot. Bonds8

About [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate

[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate (PubChem CID 71904208) has the molecular formula C23H23NO7S and a molecular weight of 457.50 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
PubChem CID71904208
Molecular FormulaC23H23NO7S
Molecular Weight457.50 g/mol
Exact Mass457.12
IUPAC Name[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C23H23NO7S/c1-24(32(26,27)20-12-10-18(28-2)11-13-20)17-6-8-19(9-7-17)31-23(25)16-5-14-21(29-3)22(15-16)30-4/h5-15H,1-4H3
InChIKeyVHQAULGPDBDQND-UHFFFAOYSA-N
XLogP3.76
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate 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-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 4-cyanobenzoate
CID 4813547
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3-nitrobenzoate
CID 71904213
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1022029
[4-[benzenesulfonyl(methyl)amino]phenyl] 3,4-dimethylbenzoate
CID 71904341
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 16514939
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 16550880
(3-methylphenyl) 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 7901124
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052999
3,4-dimethoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 126410630
[4-[benzenesulfonyl(methyl)amino]phenyl] 4-methylbenzoate
CID 71904345

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate?
The IUPAC name of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate (CID 71904208) is [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate is COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate?
The InChIKey is VHQAULGPDBDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO7S/c1-24(32(26,27)20-12-10-18(28-2)11-13-20)17-6-8-19(9-7-17)31-23(25)16-5-14-21(29-3)22(15-16)30-4/h5-15H,1-4H3.
What are the key properties of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate?
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate has a molecular weight of 457.50 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 71904208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).