[3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone

C24H25F3N2O3S — CID 167493784

IUPAC[3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCC(F)(F)CC2)c1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C24H25F3N2O3S/c25-19-7-4-8-20-21(19)23(9-1-2-10-23)16-29(20)22(30)17-5-3-6-18(15-17)33(31,32)28-13-11-24(26,27)12-14-28/h3-8,15H,1-2,9-14,16H2
InChIKeyONOQLUGAUPMZEW-UHFFFAOYSA-N
MW478.54 g/mol
LogP4.72
Rot. Bonds3

About [3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone

[3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone (PubChem CID 167493784) has the molecular formula C24H25F3N2O3S and a molecular weight of 478.54 g/mol. Its IUPAC name is [3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone.

Molecular Properties

Compound Name[3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
PubChem CID167493784
Molecular FormulaC24H25F3N2O3S
Molecular Weight478.54 g/mol
Exact Mass478.15
IUPAC Name[3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCC(F)(F)CC2)c1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C24H25F3N2O3S/c25-19-7-4-8-20-21(19)23(9-1-2-10-23)16-29(20)22(30)17-5-3-6-18(15-17)33(31,32)28-13-11-24(26,27)12-14-28/h3-8,15H,1-2,9-14,16H2
InChIKeyONOQLUGAUPMZEW-UHFFFAOYSA-N
XLogP4.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
The IUPAC name of [3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone (CID 167493784) is [3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone.
What is the SMILES notation for [3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
The canonical SMILES for [3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone is O=C(c1cccc(S(=O)(=O)N2CCC(F)(F)CC2)c1)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of [3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
The InChIKey is ONOQLUGAUPMZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3S/c25-19-7-4-8-20-21(19)23(9-1-2-10-23)16-29(20)22(30)17-5-3-6-18(15-17)33(31,32)28-13-11-24(26,27)12-14-28/h3-8,15H,1-2,9-14,16H2.
What are the key properties of [3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
[3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone has a molecular weight of 478.54 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone is sourced from PubChem (CID 167493784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).