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

C21H22N2O3S — CID 3243140

IUPAC1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone
SMILESCCCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H22N2O3S/c1-2-12-22-14-20(17-8-4-6-10-19(17)22)27(25,26)15-21(24)23-13-11-16-7-3-5-9-18(16)23/h3-10,14H,2,11-13,15H2,1H3
InChIKeyQZWDRTSCVPJOMM-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.41
Rot. Bonds5

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

1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone (PubChem CID 3243140) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone
PubChem CID3243140
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone
SMILESCCCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H22N2O3S/c1-2-12-22-14-20(17-8-4-6-10-19(17)22)27(25,26)15-21(24)23-13-11-16-7-3-5-9-18(16)23/h3-10,14H,2,11-13,15H2,1H3
InChIKeyQZWDRTSCVPJOMM-UHFFFAOYSA-N
XLogP3.41
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.41
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-propylindol-3-yl)sulfonylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone (CID 3243140) is 1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone is CCCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone?
The InChIKey is QZWDRTSCVPJOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-2-12-22-14-20(17-8-4-6-10-19(17)22)27(25,26)15-21(24)23-13-11-16-7-3-5-9-18(16)23/h3-10,14H,2,11-13,15H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone?
1-(2,3-dihydroindol-1-yl)-2-(1-propylindol-3-yl)sulfonylethanone has a molecular weight of 382.49 g/mol, XLogP of 3.41, 5 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-propylindol-3-yl)sulfonylethanone is sourced from PubChem (CID 3243140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).