1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]

C22H23NO4S — CID 170540811

IUPAC1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]
SMILESO=S(=O)(c1ccc2c(c1)OC1(CCC1)O2)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C22H23NO4S/c24-28(25,16-8-9-19-20(14-16)27-22(26-19)12-5-13-22)23-15-21(10-3-4-11-21)17-6-1-2-7-18(17)23/h1-2,6-9,14H,3-5,10-13,15H2
InChIKeyHMRROOVSDGXHJS-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.36
Rot. Bonds2

About 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]

1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane] (PubChem CID 170540811) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane].

Molecular Properties

Compound Name1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]
PubChem CID170540811
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC Name1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]
SMILESO=S(=O)(c1ccc2c(c1)OC1(CCC1)O2)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C22H23NO4S/c24-28(25,16-8-9-19-20(14-16)27-22(26-19)12-5-13-22)23-15-21(10-3-4-11-21)17-6-1-2-7-18(17)23/h1-2,6-9,14H,3-5,10-13,15H2
InChIKeyHMRROOVSDGXHJS-UHFFFAOYSA-N
XLogP4.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane] with MolForge

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Related Compounds

1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]
CID 174158811
1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540780
1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540669
1-[(3,3-dimethyl-2H-1-benzofuran-5-yl)sulfonyl]-4-fluorospiro[2H-indole-3,1'-cyclopentane]
CID 170540874
1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 102449182
5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid
CID 91643764
1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]
CID 170540676
1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 56794326
4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 10655331
2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol
CID 146604362
1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]
CID 14931608
3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylselanyl-2H-indole
CID 102407362

Frequently Asked Questions

What is the IUPAC name of 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]?
The IUPAC name of 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane] (CID 170540811) is 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane].
What is the SMILES notation for 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]?
The canonical SMILES for 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane] is O=S(=O)(c1ccc2c(c1)OC1(CCC1)O2)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]?
The InChIKey is HMRROOVSDGXHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c24-28(25,16-8-9-19-20(14-16)27-22(26-19)12-5-13-22)23-15-21(10-3-4-11-21)17-6-1-2-7-18(17)23/h1-2,6-9,14H,3-5,10-13,15H2.
What are the key properties of 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]?
1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane] has a molecular weight of 397.50 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane] is sourced from PubChem (CID 170540811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).