1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C23H24ClN3O3S — CID 53025716

IUPAC1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12
InChIInChI=1S/C23H24ClN3O3S/c1-16-5-7-19-18(14-16)25-23(22-4-3-11-27(19)22)9-12-26(13-10-23)31(28,29)21-15-17(24)6-8-20(21)30-2/h3-8,11,14-15,25H,9-10,12-13H2,1-2H3
InChIKeyPDDQIKNUVMLDIH-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.55
Rot. Bonds3

About 1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 53025716) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID53025716
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12
InChIInChI=1S/C23H24ClN3O3S/c1-16-5-7-19-18(14-16)25-23(22-4-3-11-27(19)22)9-12-26(13-10-23)31(28,29)21-15-17(24)6-8-20(21)30-2/h3-8,11,14-15,25H,9-10,12-13H2,1-2H3
InChIKeyPDDQIKNUVMLDIH-UHFFFAOYSA-N
XLogP4.55
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(3,4-dimethoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025712
1'-(2-chlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025780
1'-(benzenesulfonyl)-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025701
7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025698
1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025683
8-chloro-1'-(2-methylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058022
1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058057
1'-(3,4-dichlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025786
7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025757
(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53025842
1'-(3-chlorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005046
1'-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025782

Frequently Asked Questions

What is the IUPAC name of 1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 53025716) is 1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is COc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12.
What is the InChIKey of 1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is PDDQIKNUVMLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-16-5-7-19-18(14-16)25-23(22-4-3-11-27(19)22)9-12-26(13-10-23)31(28,29)21-15-17(24)6-8-20(21)30-2/h3-8,11,14-15,25H,9-10,12-13H2,1-2H3.
What are the key properties of 1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 457.98 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 53025716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).