1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole

C15H18F3NO3S — CID 99822343

IUPAC1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole
SMILESO=S(=O)(CC[C@H]1CCCO1)N1CCc2c1cccc2C(F)(F)F
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)13-4-1-5-14-12(13)6-8-19(14)23(20,21)10-7-11-3-2-9-22-11/h1,4-5,11H,2-3,6-10H2/t11-/m1/s1
InChIKeyJKSUQUFNLCIWJD-LLVKDONJSA-N
MW349.37 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole

1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole (PubChem CID 99822343) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole
PubChem CID99822343
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC Name1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole
SMILESO=S(=O)(CC[C@H]1CCCO1)N1CCc2c1cccc2C(F)(F)F
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)13-4-1-5-14-12(13)6-8-19(14)23(20,21)10-7-11-3-2-9-22-11/h1,4-5,11H,2-3,6-10H2/t11-/m1/s1
InChIKeyJKSUQUFNLCIWJD-LLVKDONJSA-N
XLogP2.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine
CID 97226472
1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine
CID 114456010
2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole
CID 100865829
1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335926
4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine
CID 71918697
1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65162308
2-methyl-3-[2-(oxolan-2-yl)ethylsulfonyl]benzoic acid
CID 81444904
4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
CID 102474261
N,N-dimethyl-2-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine
CID 97339756
2-ethylsulfonyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 100669345
N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 96539853
2-(oxolan-2-yl)ethanesulfonyl chloride
CID 65158435

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole?
The IUPAC name of 1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole (CID 99822343) is 1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole?
The canonical SMILES for 1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole is O=S(=O)(CC[C@H]1CCCO1)N1CCc2c1cccc2C(F)(F)F.
What is the InChIKey of 1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole?
The InChIKey is JKSUQUFNLCIWJD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c16-15(17,18)13-4-1-5-14-12(13)6-8-19(14)23(20,21)10-7-11-3-2-9-22-11/h1,4-5,11H,2-3,6-10H2/t11-/m1/s1.
What are the key properties of 1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole?
1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole has a molecular weight of 349.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole is sourced from PubChem (CID 99822343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).