1-methyl-3-methylsulfonylbenzo[e]indole

C14H13NO2S — CID 10967214

IUPAC1-methyl-3-methylsulfonylbenzo[e]indole
SMILESCc1cn(S(C)(=O)=O)c2ccc3ccccc3c12
InChIInChI=1S/C14H13NO2S/c1-10-9-15(18(2,16)17)13-8-7-11-5-3-4-6-12(11)14(10)13/h3-9H,1-2H3
InChIKeyDPZQBYKCKYKGKU-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.91
Rot. Bonds1

About 1-methyl-3-methylsulfonylbenzo[e]indole

1-methyl-3-methylsulfonylbenzo[e]indole (PubChem CID 10967214) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-methyl-3-methylsulfonylbenzo[e]indole.

Molecular Properties

Compound Name1-methyl-3-methylsulfonylbenzo[e]indole
PubChem CID10967214
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name1-methyl-3-methylsulfonylbenzo[e]indole
SMILESCc1cn(S(C)(=O)=O)c2ccc3ccccc3c12
InChIInChI=1S/C14H13NO2S/c1-10-9-15(18(2,16)17)13-8-7-11-5-3-4-6-12(11)14(10)13/h3-9H,1-2H3
InChIKeyDPZQBYKCKYKGKU-UHFFFAOYSA-N
XLogP2.91
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfonylbenzo[e]indole?
The IUPAC name of 1-methyl-3-methylsulfonylbenzo[e]indole (CID 10967214) is 1-methyl-3-methylsulfonylbenzo[e]indole.
What is the SMILES notation for 1-methyl-3-methylsulfonylbenzo[e]indole?
The canonical SMILES for 1-methyl-3-methylsulfonylbenzo[e]indole is Cc1cn(S(C)(=O)=O)c2ccc3ccccc3c12.
What is the InChIKey of 1-methyl-3-methylsulfonylbenzo[e]indole?
The InChIKey is DPZQBYKCKYKGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-10-9-15(18(2,16)17)13-8-7-11-5-3-4-6-12(11)14(10)13/h3-9H,1-2H3.
What are the key properties of 1-methyl-3-methylsulfonylbenzo[e]indole?
1-methyl-3-methylsulfonylbenzo[e]indole has a molecular weight of 259.33 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfonylbenzo[e]indole is sourced from PubChem (CID 10967214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).