1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C21H20FN3O2S — CID 53005048

IUPAC1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESO=S(=O)(c1ccccc1F)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C21H20FN3O2S/c22-16-6-1-4-9-19(16)28(26,27)24-14-11-21(12-15-24)20-10-5-13-25(20)18-8-3-2-7-17(18)23-21/h1-10,13,23H,11-12,14-15H2
InChIKeyGTYQSFVQZZBAIG-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.72
Rot. Bonds2

About 1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 53005048) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID53005048
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESO=S(=O)(c1ccccc1F)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C21H20FN3O2S/c22-16-6-1-4-9-19(16)28(26,27)24-14-11-21(12-15-24)20-10-5-13-25(20)18-8-3-2-7-17(18)23-21/h1-10,13,23H,11-12,14-15H2
InChIKeyGTYQSFVQZZBAIG-UHFFFAOYSA-N
XLogP3.72
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(3-chlorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005046
8-chloro-1'-(2-methylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058022
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,1'-cyclopropane]
CID 154709221
(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
CID 53025806
1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025683
1'-(benzenesulfonyl)-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025701
1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025753
1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025716
7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005060
7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025698
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
CID 53005079
1'-(3,4-dimethoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025712

Frequently Asked Questions

What is the IUPAC name of 1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 53005048) is 1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is O=S(=O)(c1ccccc1F)N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of 1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is GTYQSFVQZZBAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c22-16-6-1-4-9-19(16)28(26,27)24-14-11-21(12-15-24)20-10-5-13-25(20)18-8-3-2-7-17(18)23-21/h1-10,13,23H,11-12,14-15H2.
What are the key properties of 1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 397.48 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 53005048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).