1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C19H15F3N2O3S — CID 141164535

IUPAC1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)n3ccc4cc(C(F)(F)F)ccc43)ccc21
InChIInChI=1S/C19H15F3N2O3S/c1-12(25)23-8-6-14-11-16(3-5-17(14)23)28(26,27)24-9-7-13-10-15(19(20,21)22)2-4-18(13)24/h2-5,7,9-11H,6,8H2,1H3
InChIKeyADJHSKLKKQUGPA-UHFFFAOYSA-N
MW408.40 g/mol
LogP3.81
Rot. Bonds2

About 1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 141164535) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID141164535
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)n3ccc4cc(C(F)(F)F)ccc43)ccc21
InChIInChI=1S/C19H15F3N2O3S/c1-12(25)23-8-6-14-11-16(3-5-17(14)23)28(26,27)24-9-7-13-10-15(19(20,21)22)2-4-18(13)24/h2-5,7,9-11H,6,8H2,1H3
InChIKeyADJHSKLKKQUGPA-UHFFFAOYSA-N
XLogP3.81
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Oxsi-2
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4-[3-(1-Methyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-phenylamine
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CID 9927441
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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 141164535) is 1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)n3ccc4cc(C(F)(F)F)ccc43)ccc21.
What is the InChIKey of 1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ADJHSKLKKQUGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-12(25)23-8-6-14-11-16(3-5-17(14)23)28(26,27)24-9-7-13-10-15(19(20,21)22)2-4-18(13)24/h2-5,7,9-11H,6,8H2,1H3.
What are the key properties of 1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 408.40 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 141164535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).