(2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole

C23H18F3NO2S — CID 155933576

IUPAC(2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(N1c2ccc(-c3ccccc3)cc2C[C@H]1/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H18F3NO2S/c24-23(25,26)30(28,29)27-21(13-11-17-7-3-1-4-8-17)16-20-15-19(12-14-22(20)27)18-9-5-2-6-10-18/h1-15,21H,16H2/b13-11+/t21-/m1/s1
InChIKeyGCTNCYNKYKDDKS-ZOXUKVPXSA-N
MW429.46 g/mol
LogP5.65
Rot. Bonds4

About (2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole

(2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole (PubChem CID 155933576) has the molecular formula C23H18F3NO2S and a molecular weight of 429.46 g/mol. Its IUPAC name is (2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole.

Molecular Properties

Compound Name(2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
PubChem CID155933576
Molecular FormulaC23H18F3NO2S
Molecular Weight429.46 g/mol
Exact Mass429.10
IUPAC Name(2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(N1c2ccc(-c3ccccc3)cc2C[C@H]1/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H18F3NO2S/c24-23(25,26)30(28,29)27-21(13-11-17-7-3-1-4-8-17)16-20-15-19(12-14-22(20)27)18-9-5-2-6-10-18/h1-15,21H,16H2/b13-11+/t21-/m1/s1
InChIKeyGCTNCYNKYKDDKS-ZOXUKVPXSA-N
XLogP5.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The IUPAC name of (2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole (CID 155933576) is (2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole.
What is the SMILES notation for (2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The canonical SMILES for (2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole is O=S(=O)(N1c2ccc(-c3ccccc3)cc2C[C@H]1/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The InChIKey is GCTNCYNKYKDDKS-ZOXUKVPXSA-N. The full InChI is InChI=1S/C23H18F3NO2S/c24-23(25,26)30(28,29)27-21(13-11-17-7-3-1-4-8-17)16-20-15-19(12-14-22(20)27)18-9-5-2-6-10-18/h1-15,21H,16H2/b13-11+/t21-/m1/s1.
What are the key properties of (2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
(2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole has a molecular weight of 429.46 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole is sourced from PubChem (CID 155933576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).