5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol

C24H25NO4S — CID 101418366

IUPAC5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
SMILESCOc1cc(C)c(-c2ccc3c(c2O)CN(S(=O)(=O)c2ccc(C)cc2)C3)c(C)c1
InChIInChI=1S/C24H25NO4S/c1-15-5-8-20(9-6-15)30(27,28)25-13-18-7-10-21(24(26)22(18)14-25)23-16(2)11-19(29-4)12-17(23)3/h5-12,26H,13-14H2,1-4H3
InChIKeyZZHANRDGZSBPHE-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.70
Rot. Bonds4

About 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol

5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol (PubChem CID 101418366) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol.

Molecular Properties

Compound Name5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
PubChem CID101418366
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
SMILESCOc1cc(C)c(-c2ccc3c(c2O)CN(S(=O)(=O)c2ccc(C)cc2)C3)c(C)c1
InChIInChI=1S/C24H25NO4S/c1-15-5-8-20(9-6-15)30(27,28)25-13-18-7-10-21(24(26)22(18)14-25)23-16(2)11-19(29-4)12-17(23)3/h5-12,26H,13-14H2,1-4H3
InChIKeyZZHANRDGZSBPHE-UHFFFAOYSA-N
XLogP4.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol 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

5-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
CID 11289669
6-(4-methoxy-2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-benzo[f]isoquinoline
CID 102289714
6-bromo-4-methoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 19358371
2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol
CID 24756122
4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11382924
4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol
CID 25259017
2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
2-[4-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]ethanol
CID 101081797
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
4-bromo-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 15167897
2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11268113
5,6-bis(bromomethyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 138981305

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol?
The IUPAC name of 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol (CID 101418366) is 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol.
What is the SMILES notation for 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol?
The canonical SMILES for 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol is COc1cc(C)c(-c2ccc3c(c2O)CN(S(=O)(=O)c2ccc(C)cc2)C3)c(C)c1.
What is the InChIKey of 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol?
The InChIKey is ZZHANRDGZSBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-15-5-8-20(9-6-15)30(27,28)25-13-18-7-10-21(24(26)22(18)14-25)23-16(2)11-19(29-4)12-17(23)3/h5-12,26H,13-14H2,1-4H3.
What are the key properties of 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol?
5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol has a molecular weight of 423.53 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol is sourced from PubChem (CID 101418366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).