1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine]

C19H20F2N2O2S — CID 175894708

IUPAC1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESO=S(=O)(c1ccc(C(F)F)cc1)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C19H20F2N2O2S/c20-18(21)14-5-7-15(8-6-14)26(24,25)23-11-9-19(10-12-23)13-22-17-4-2-1-3-16(17)19/h1-8,18,22H,9-13H2
InChIKeyARNOUFNWIGFVOY-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.77
Rot. Bonds3

About 1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine]

1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 175894708) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is 1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID175894708
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC Name1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESO=S(=O)(c1ccc(C(F)F)cc1)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C19H20F2N2O2S/c20-18(21)14-5-7-15(8-6-14)26(24,25)23-11-9-19(10-12-23)13-22-17-4-2-1-3-16(17)19/h1-8,18,22H,9-13H2
InChIKeyARNOUFNWIGFVOY-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]
CID 174158811
4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 178050421
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one
CID 177497849
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one
CID 99931971
(3S)-spiro[1,2-dihydroindole-3,3'-oxolane]
CID 124635965
8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91802635
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 158110279
[1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 170540681

Frequently Asked Questions

What is the IUPAC name of 1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine] (CID 175894708) is 1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine] is O=S(=O)(c1ccc(C(F)F)cc1)N1CCC2(CC1)CNc1ccccc12.
What is the InChIKey of 1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is ARNOUFNWIGFVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c20-18(21)14-5-7-15(8-6-14)26(24,25)23-11-9-19(10-12-23)13-22-17-4-2-1-3-16(17)19/h1-8,18,22H,9-13H2.
What are the key properties of 1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine]?
1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 378.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 175894708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).