1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone

C19H18N2O3S — CID 2157548

IUPAC1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone
SMILESCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C19H18N2O3S/c1-20-12-18(15-7-3-5-9-17(15)20)25(23,24)13-19(22)21-11-10-14-6-2-4-8-16(14)21/h2-9,12H,10-11,13H2,1H3
InChIKeyJKKWDTGVXVFJHU-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.54
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone

1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone (PubChem CID 2157548) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone
PubChem CID2157548
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone
SMILESCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C19H18N2O3S/c1-20-12-18(15-7-3-5-9-17(15)20)25(23,24)13-19(22)21-11-10-14-6-2-4-8-16(14)21/h2-9,12H,10-11,13H2,1H3
InChIKeyJKKWDTGVXVFJHU-UHFFFAOYSA-N
XLogP2.54
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone (CID 2157548) is 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone is Cn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone?
The InChIKey is JKKWDTGVXVFJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-20-12-18(15-7-3-5-9-17(15)20)25(23,24)13-19(22)21-11-10-14-6-2-4-8-16(14)21/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone?
1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone has a molecular weight of 354.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone is sourced from PubChem (CID 2157548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).