1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C22H22ClN3O3S — CID 53025683

IUPAC1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1Cl
InChIInChI=1S/C22H22ClN3O3S/c1-29-20-9-8-16(15-17(20)23)30(27,28)25-13-10-22(11-14-25)21-7-4-12-26(21)19-6-3-2-5-18(19)24-22/h2-9,12,15,24H,10-11,13-14H2,1H3
InChIKeyBSTLMMKEPUUMIO-UHFFFAOYSA-N
MW443.96 g/mol
LogP4.24
Rot. Bonds3

About 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 53025683) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID53025683
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC Name1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1Cl
InChIInChI=1S/C22H22ClN3O3S/c1-29-20-9-8-16(15-17(20)23)30(27,28)25-13-10-22(11-14-25)21-7-4-12-26(21)19-6-3-2-5-18(19)24-22/h2-9,12,15,24H,10-11,13-14H2,1H3
InChIKeyBSTLMMKEPUUMIO-UHFFFAOYSA-N
XLogP4.24
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(3,4-dimethoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025712
1'-(3-chlorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005046
1'-(3,4-dichlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025786
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
N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357445
7-fluoro-1'-naphthalen-2-ylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025734
8-chloro-1'-(2-methylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058022
1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058045
5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 70814171
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,1'-cyclopropane]
CID 154709221
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861

Frequently Asked Questions

What is the IUPAC name of 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 53025683) is 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is COc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1Cl.
What is the InChIKey of 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is BSTLMMKEPUUMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-29-20-9-8-16(15-17(20)23)30(27,28)25-13-10-22(11-14-25)21-7-4-12-26(21)19-6-3-2-5-18(19)24-22/h2-9,12,15,24H,10-11,13-14H2,1H3.
What are the key properties of 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 443.96 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 53025683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).