5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

C24H25NO2S — CID 139247527

IUPAC5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(S(=O)(=O)N2CCc3c(C)cccc3C2c2cccc(C)c2)cc1
InChIInChI=1S/C24H25NO2S/c1-17-10-12-21(13-11-17)28(26,27)25-15-14-22-19(3)7-5-9-23(22)24(25)20-8-4-6-18(2)16-20/h4-13,16,24H,14-15H2,1-3H3
InChIKeyRAHCTJVTNSYZTD-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.95
Rot. Bonds3

About 5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (PubChem CID 139247527) has the molecular formula C24H25NO2S and a molecular weight of 391.54 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
PubChem CID139247527
Molecular FormulaC24H25NO2S
Molecular Weight391.54 g/mol
Exact Mass391.16
IUPAC Name5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(S(=O)(=O)N2CCc3c(C)cccc3C2c2cccc(C)c2)cc1
InChIInChI=1S/C24H25NO2S/c1-17-10-12-21(13-11-17)28(26,27)25-15-14-22-19(3)7-5-9-23(22)24(25)20-8-4-6-18(2)16-20/h4-13,16,24H,14-15H2,1-3H3
InChIKeyRAHCTJVTNSYZTD-UHFFFAOYSA-N
XLogP4.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
CID 86002564
(1R)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 138972942
5,6-dimethoxy-2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 101411514
4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657640
2-(3,4-dimethylphenyl)sulfonyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 46328289
6,7-dimethoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 101411510
4-(3,4-dichlorophenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657623
1-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 102267222
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2S)-1-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95078859
1-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 53096117

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CID 139247527) is 5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is Cc1ccc(S(=O)(=O)N2CCc3c(C)cccc3C2c2cccc(C)c2)cc1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is RAHCTJVTNSYZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2S/c1-17-10-12-21(13-11-17)28(26,27)25-15-14-22-19(3)7-5-9-23(22)24(25)20-8-4-6-18(2)16-20/h4-13,16,24H,14-15H2,1-3H3.
What are the key properties of 5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 391.54 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 139247527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).