1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone

C25H21FN2O3S — CID 2053115

IUPAC1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone
SMILESO=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)N1CCc2ccccc21
InChIInChI=1S/C25H21FN2O3S/c26-20-8-5-6-18(14-20)15-27-16-24(21-9-2-4-11-23(21)27)32(30,31)17-25(29)28-13-12-19-7-1-3-10-22(19)28/h1-11,14,16H,12-13,15,17H2
InChIKeyVRERBVBWPASLAX-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.19
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone

1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone (PubChem CID 2053115) has the molecular formula C25H21FN2O3S and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone
PubChem CID2053115
Molecular FormulaC25H21FN2O3S
Molecular Weight448.52 g/mol
Exact Mass448.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone
SMILESO=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)N1CCc2ccccc21
InChIInChI=1S/C25H21FN2O3S/c26-20-8-5-6-18(14-20)15-27-16-24(21-9-2-4-11-23(21)27)32(30,31)17-25(29)28-13-12-19-7-1-3-10-22(19)28/h1-11,14,16H,12-13,15,17H2
InChIKeyVRERBVBWPASLAX-UHFFFAOYSA-N
XLogP4.19
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.19
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-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone (CID 2053115) is 1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone is O=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone?
The InChIKey is VRERBVBWPASLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3S/c26-20-8-5-6-18(14-20)15-27-16-24(21-9-2-4-11-23(21)27)32(30,31)17-25(29)28-13-12-19-7-1-3-10-22(19)28/h1-11,14,16H,12-13,15,17H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone?
1-(2,3-dihydroindol-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone has a molecular weight of 448.52 g/mol, XLogP of 4.19, 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-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylethanone is sourced from PubChem (CID 2053115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).