1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C21H18Cl2FN3O2S — CID 53025753

IUPAC1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C21H18Cl2FN3O2S/c22-16-5-4-15(13-17(16)23)30(28,29)26-10-7-21(8-11-26)20-2-1-9-27(20)19-6-3-14(24)12-18(19)25-21/h1-6,9,12-13,25H,7-8,10-11H2
InChIKeyDEDBZKWXHCIWQQ-UHFFFAOYSA-N
MW466.37 g/mol
LogP5.03
Rot. Bonds2

About 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 53025753) has the molecular formula C21H18Cl2FN3O2S and a molecular weight of 466.37 g/mol. Its IUPAC name is 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID53025753
Molecular FormulaC21H18Cl2FN3O2S
Molecular Weight466.37 g/mol
Exact Mass465.05
IUPAC Name1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C21H18Cl2FN3O2S/c22-16-5-4-15(13-17(16)23)30(28,29)26-10-7-21(8-11-26)20-2-1-9-27(20)19-6-3-14(24)12-18(19)25-21/h1-6,9,12-13,25H,7-8,10-11H2
InChIKeyDEDBZKWXHCIWQQ-UHFFFAOYSA-N
XLogP5.03
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] with MolForge

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Related Compounds

7-fluoro-1'-naphthalen-2-ylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025734
1'-(3,4-dichlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025786
7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005060
1'-(3-chlorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005046
1'-(benzenesulfonyl)-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025701
1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025683
1'-(3,4-dimethoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025712
1-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)propan-1-one
CID 53005094
7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025698
1'-(2-chlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025780
1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005048
cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53005085

Frequently Asked Questions

What is the IUPAC name of 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 53025753) is 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12.
What is the InChIKey of 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is DEDBZKWXHCIWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN3O2S/c22-16-5-4-15(13-17(16)23)30(28,29)26-10-7-21(8-11-26)20-2-1-9-27(20)19-6-3-14(24)12-18(19)25-21/h1-6,9,12-13,25H,7-8,10-11H2.
What are the key properties of 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 466.37 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 53025753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).