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

C20H20N2O3S — CID 2053105

IUPAC1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone
SMILESCCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-2-21-13-19(16-8-4-6-10-18(16)21)26(24,25)14-20(23)22-12-11-15-7-3-5-9-17(15)22/h3-10,13H,2,11-12,14H2,1H3
InChIKeyPTLZHMGKOSQYJV-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.02
Rot. Bonds4

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

1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone (PubChem CID 2053105) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone
PubChem CID2053105
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone
SMILESCCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-2-21-13-19(16-8-4-6-10-18(16)21)26(24,25)14-20(23)22-12-11-15-7-3-5-9-17(15)22/h3-10,13H,2,11-12,14H2,1H3
InChIKeyPTLZHMGKOSQYJV-UHFFFAOYSA-N
XLogP3.02
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.02
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-ethylindol-3-yl)sulfonylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone (CID 2053105) is 1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone is CCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone?
The InChIKey is PTLZHMGKOSQYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-2-21-13-19(16-8-4-6-10-18(16)21)26(24,25)14-20(23)22-12-11-15-7-3-5-9-17(15)22/h3-10,13H,2,11-12,14H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone?
1-(2,3-dihydroindol-1-yl)-2-(1-ethylindol-3-yl)sulfonylethanone has a molecular weight of 368.46 g/mol, XLogP of 3.02, 4 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-ethylindol-3-yl)sulfonylethanone is sourced from PubChem (CID 2053105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).