2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol

C18H23NO3SSi — CID 24756122

IUPAC2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc([Si](C)(C)C)c(O)c3C2)cc1
InChIInChI=1S/C18H23NO3SSi/c1-13-5-8-15(9-6-13)23(21,22)19-11-14-7-10-17(24(2,3)4)18(20)16(14)12-19/h5-10,20H,11-12H2,1-4H3
InChIKeyTYFCUUXQFRERBO-UHFFFAOYSA-N
MW361.54 g/mol
LogP2.95
Rot. Bonds3

About 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol

2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol (PubChem CID 24756122) has the molecular formula C18H23NO3SSi and a molecular weight of 361.54 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol
PubChem CID24756122
Molecular FormulaC18H23NO3SSi
Molecular Weight361.54 g/mol
Exact Mass361.12
IUPAC Name2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc([Si](C)(C)C)c(O)c3C2)cc1
InChIInChI=1S/C18H23NO3SSi/c1-13-5-8-15(9-6-13)23(21,22)19-11-14-7-10-17(24(2,3)4)18(20)16(14)12-19/h5-10,20H,11-12H2,1-4H3
InChIKeyTYFCUUXQFRERBO-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-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
5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
CID 101418366
2-[4-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]ethanol
CID 101081797
4-bromo-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 15167897
[3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane
CID 122203613
4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11382924
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol
CID 25259017
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
4-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine
CID 102380568
7-(4-methylphenyl)sulfonylspiro[6,8-dihydro-3H-furo[2,3-e]isoindole-2,2'-oxolane]
CID 102521195
2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11268113

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol (CID 24756122) is 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol is Cc1ccc(S(=O)(=O)N2Cc3ccc([Si](C)(C)C)c(O)c3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol?
The InChIKey is TYFCUUXQFRERBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3SSi/c1-13-5-8-15(9-6-13)23(21,22)19-11-14-7-10-17(24(2,3)4)18(20)16(14)12-19/h5-10,20H,11-12H2,1-4H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol?
2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol has a molecular weight of 361.54 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol is sourced from PubChem (CID 24756122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).