1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]

C21H21F2NO2S — CID 170540780

IUPAC1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
SMILESO=S(=O)(c1cccc(C2CC2(F)F)c1)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C21H21F2NO2S/c22-21(23)13-18(21)15-6-5-7-16(12-15)27(25,26)24-14-20(10-3-4-11-20)17-8-1-2-9-19(17)24/h1-2,5-9,12,18H,3-4,10-11,13-14H2
InChIKeyLOYPSCDKMDVNRF-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.83
Rot. Bonds3

About 1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]

1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane] (PubChem CID 170540780) has the molecular formula C21H21F2NO2S and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane].

Molecular Properties

Compound Name1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
PubChem CID170540780
Molecular FormulaC21H21F2NO2S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
SMILESO=S(=O)(c1cccc(C2CC2(F)F)c1)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C21H21F2NO2S/c22-21(23)13-18(21)15-6-5-7-16(12-15)27(25,26)24-14-20(10-3-4-11-20)17-8-1-2-9-19(17)24/h1-2,5-9,12,18H,3-4,10-11,13-14H2
InChIKeyLOYPSCDKMDVNRF-UHFFFAOYSA-N
XLogP4.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
The IUPAC name of 1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane] (CID 170540780) is 1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane].
What is the SMILES notation for 1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
The canonical SMILES for 1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane] is O=S(=O)(c1cccc(C2CC2(F)F)c1)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of 1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
The InChIKey is LOYPSCDKMDVNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO2S/c22-21(23)13-18(21)15-6-5-7-16(12-15)27(25,26)24-14-20(10-3-4-11-20)17-8-1-2-9-19(17)24/h1-2,5-9,12,18H,3-4,10-11,13-14H2.
What are the key properties of 1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane] has a molecular weight of 389.47 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane] is sourced from PubChem (CID 170540780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).