5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole

C26H23NO2S — CID 139186478

IUPAC5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(-c4ccccc4)c(C)c4ccccc4c32)cc1
InChIInChI=1S/C26H23NO2S/c1-18-12-14-21(15-13-18)30(28,29)27-17-16-24-25(20-8-4-3-5-9-20)19(2)22-10-6-7-11-23(22)26(24)27/h3-15H,16-17H2,1-2H3
InChIKeyCNFHJWUXLLQSQQ-UHFFFAOYSA-N
MW413.54 g/mol
LogP5.88
Rot. Bonds3

About 5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole

5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole (PubChem CID 139186478) has the molecular formula C26H23NO2S and a molecular weight of 413.54 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole
PubChem CID139186478
Molecular FormulaC26H23NO2S
Molecular Weight413.54 g/mol
Exact Mass413.14
IUPAC Name5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(-c4ccccc4)c(C)c4ccccc4c32)cc1
InChIInChI=1S/C26H23NO2S/c1-18-12-14-21(15-13-18)30(28,29)27-17-16-24-25(20-8-4-3-5-9-20)19(2)22-10-6-7-11-23(22)26(24)27/h3-15H,16-17H2,1-2H3
InChIKeyCNFHJWUXLLQSQQ-UHFFFAOYSA-N
XLogP5.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.54
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole?
The IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole (CID 139186478) is 5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole is Cc1ccc(S(=O)(=O)N2CCc3c(-c4ccccc4)c(C)c4ccccc4c32)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole?
The InChIKey is CNFHJWUXLLQSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2S/c1-18-12-14-21(15-13-18)30(28,29)27-17-16-24-25(20-8-4-3-5-9-20)19(2)22-10-6-7-11-23(22)26(24)27/h3-15H,16-17H2,1-2H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole?
5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole has a molecular weight of 413.54 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2,3-dihydrobenzo[g]indole is sourced from PubChem (CID 139186478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).