4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole

C13H15F2NO3S — CID 124861706

IUPAC4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole
SMILESC[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C13H15F2NO3S/c1-8-13(3-5-19-8)20(17,18)16-4-2-10-11(15)6-9(14)7-12(10)16/h6-8,13H,2-5H2,1H3/t8-,13-/m0/s1
InChIKeyJBOGNTUXUSHCDX-SDBXPKJASA-N
MW303.33 g/mol
LogP1.83
Rot. Bonds2

About 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole

4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole (PubChem CID 124861706) has the molecular formula C13H15F2NO3S and a molecular weight of 303.33 g/mol. Its IUPAC name is 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole
PubChem CID124861706
Molecular FormulaC13H15F2NO3S
Molecular Weight303.33 g/mol
Exact Mass303.07
IUPAC Name4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole
SMILESC[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C13H15F2NO3S/c1-8-13(3-5-19-8)20(17,18)16-4-2-10-11(15)6-9(14)7-12(10)16/h6-8,13H,2-5H2,1H3/t8-,13-/m0/s1
InChIKeyJBOGNTUXUSHCDX-SDBXPKJASA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole with MolForge

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Related Compounds

5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole
CID 75511460
N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide
CID 112846260
6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 99830889
4,6-difluoro-2,3-dihydroindole-1-carboxylic acid
CID 175962184
2-methyloxolane-3-sulfonyl fluoride
CID 165460627
4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 99773671
(2R,3R)-2-methyl-N-[2-(3,4,5-trifluorophenyl)ethyl]oxolane-3-sulfonamide
CID 99857548
(2R,3S)-2-methyloxolane-3-sulfonyl chloride
CID 98113530
N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 79758753
6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 84621646
4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 167973143
5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 39840756

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole (CID 124861706) is 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole is C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole?
The InChIKey is JBOGNTUXUSHCDX-SDBXPKJASA-N. The full InChI is InChI=1S/C13H15F2NO3S/c1-8-13(3-5-19-8)20(17,18)16-4-2-10-11(15)6-9(14)7-12(10)16/h6-8,13H,2-5H2,1H3/t8-,13-/m0/s1.
What are the key properties of 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole?
4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole has a molecular weight of 303.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 124861706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).