1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]

C20H18N2O2S — CID 14931608

IUPAC1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]
SMILESO=S(=O)(c1ccccc1)N1CC2(Cc3cccn3C2)c2ccccc21
InChIInChI=1S/C20H18N2O2S/c23-25(24,17-8-2-1-3-9-17)22-15-20(18-10-4-5-11-19(18)22)13-16-7-6-12-21(16)14-20/h1-12H,13-15H2
InChIKeyZGPBDFHMEBNDMX-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.19
Rot. Bonds2

About 1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]

1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole] (PubChem CID 14931608) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole].

Molecular Properties

Compound Name1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]
PubChem CID14931608
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]
SMILESO=S(=O)(c1ccccc1)N1CC2(Cc3cccn3C2)c2ccccc21
InChIInChI=1S/C20H18N2O2S/c23-25(24,17-8-2-1-3-9-17)22-15-20(18-10-4-5-11-19(18)22)13-16-7-6-12-21(16)14-20/h1-12H,13-15H2
InChIKeyZGPBDFHMEBNDMX-UHFFFAOYSA-N
XLogP3.19
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-benzyl-5'-methylidene-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,3'-piperidine]
CID 15507651
1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]
CID 174158811
1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540669
1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540780
1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
CID 110669474
3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylselanyl-2H-indole
CID 102407362
1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540811
1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 102449182
2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone
CID 102013662
phenyl N-[1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]carbamate
CID 170540774
5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid
CID 91643764
2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol
CID 146604362

Frequently Asked Questions

What is the IUPAC name of 1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]?
The IUPAC name of 1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole] (CID 14931608) is 1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole].
What is the SMILES notation for 1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]?
The canonical SMILES for 1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole] is O=S(=O)(c1ccccc1)N1CC2(Cc3cccn3C2)c2ccccc21.
What is the InChIKey of 1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]?
The InChIKey is ZGPBDFHMEBNDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-25(24,17-8-2-1-3-9-17)22-15-20(18-10-4-5-11-19(18)22)13-16-7-6-12-21(16)14-20/h1-12H,13-15H2.
What are the key properties of 1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]?
1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole] has a molecular weight of 350.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole] is sourced from PubChem (CID 14931608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).