2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole

C20H19NO2S — CID 132544385

IUPAC2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole
SMILESCc1ccccc1C1Cc2c(ccc3ccccc23)N1S(C)(=O)=O
InChIInChI=1S/C20H19NO2S/c1-14-7-3-5-9-16(14)20-13-18-17-10-6-4-8-15(17)11-12-19(18)21(20)24(2,22)23/h3-12,20H,13H2,1-2H3
InChIKeyFDQUNJJCQWQQJZ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.21
Rot. Bonds2

About 2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole

2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole (PubChem CID 132544385) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole
PubChem CID132544385
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole
SMILESCc1ccccc1C1Cc2c(ccc3ccccc23)N1S(C)(=O)=O
InChIInChI=1S/C20H19NO2S/c1-14-7-3-5-9-16(14)20-13-18-17-10-6-4-8-15(17)11-12-19(18)21(20)24(2,22)23/h3-12,20H,13H2,1-2H3
InChIKeyFDQUNJJCQWQQJZ-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole?
The IUPAC name of 2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole (CID 132544385) is 2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole.
What is the SMILES notation for 2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole?
The canonical SMILES for 2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole is Cc1ccccc1C1Cc2c(ccc3ccccc23)N1S(C)(=O)=O.
What is the InChIKey of 2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole?
The InChIKey is FDQUNJJCQWQQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-7-3-5-9-16(14)20-13-18-17-10-6-4-8-15(17)11-12-19(18)21(20)24(2,22)23/h3-12,20H,13H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole?
2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole has a molecular weight of 337.44 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-methylsulfonyl-1,2-dihydrobenzo[e]indole is sourced from PubChem (CID 132544385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).