1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole

C23H23NO2S — CID 135021506

IUPAC1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
SMILESCc1ccc(CC2c3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO2S/c1-17-7-11-19(12-8-17)15-23-22-6-4-3-5-20(22)16-24(23)27(25,26)21-13-9-18(2)10-14-21/h3-14,23H,15-16H2,1-2H3
InChIKeyUAOGZQQRKNXCAX-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.79
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole

1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole (PubChem CID 135021506) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
PubChem CID135021506
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
SMILESCc1ccc(CC2c3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO2S/c1-17-7-11-19(12-8-17)15-23-22-6-4-3-5-20(22)16-24(23)27(25,26)21-13-9-18(2)10-14-21/h3-14,23H,15-16H2,1-2H3
InChIKeyUAOGZQQRKNXCAX-UHFFFAOYSA-N
XLogP4.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole 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

2-(4-methylphenyl)sulfonyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 135021505
(4R,13R,19S,28S)-12,20-bis-(4-methylphenyl)sulfonyl-12,20-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,5,7,9,15,22,24,26-nonaene
CID 132606613
(6aS,7R,11bS)-7-methyl-6-(4-methylphenyl)sulfonyl-5,6a,7,11b-tetrahydroindeno[2,1-c]isoquinoline
CID 166448631
N-[(4-methylphenyl)methyl]-2-[(1S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 92700454
N-[(4-ethylphenyl)methyl]-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 53012658
2-[(1R)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-propan-2-ylacetamide
CID 92699860
methyl 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-4-yl]acetate
CID 102334192
1-benzyl-2-methyl-1,3-dihydroisoindole
CID 10585192
2-(4-bromophenyl)sulfonyl-4-(4-methylphenyl)-1,4-dihydroisoquinolin-3-one
CID 138973498
3-(benzenesulfonyl)-4-fluoro-1-(4-methylphenyl)sulfonyl-2-propyl-2,5-dihydropyrrole
CID 134854387
(3aR,8bS)-1-(chloromethyl)-3-(4-methylphenyl)sulfonyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrole
CID 102510483
(3R)-2-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075326

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The IUPAC name of 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole (CID 135021506) is 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole is Cc1ccc(CC2c3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The InChIKey is UAOGZQQRKNXCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-17-7-11-19(12-8-17)15-23-22-6-4-3-5-20(22)16-24(23)27(25,26)21-13-9-18(2)10-14-21/h3-14,23H,15-16H2,1-2H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole has a molecular weight of 377.51 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole is sourced from PubChem (CID 135021506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).