2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline

C21H23N3O4S — CID 90560122

IUPAC2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C21H23N3O4S/c1-15-7-8-19(27-2)20(13-15)29(25,26)24-11-9-16(10-12-24)28-21-14-22-17-5-3-4-6-18(17)23-21/h3-8,13-14,16H,9-12H2,1-2H3
InChIKeyTXRYJTHSAIOXLN-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.18
Rot. Bonds5

About 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline

2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline (PubChem CID 90560122) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline.

Molecular Properties

Compound Name2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
PubChem CID90560122
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C21H23N3O4S/c1-15-7-8-19(27-2)20(13-15)29(25,26)24-11-9-16(10-12-24)28-21-14-22-17-5-3-4-6-18(17)23-21/h3-8,13-14,16H,9-12H2,1-2H3
InChIKeyTXRYJTHSAIOXLN-UHFFFAOYSA-N
XLogP3.18
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline 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

2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126850669
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109
2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126854612
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560120
N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
CID 90560100
2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560127
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
CID 121162883
4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 99844527
3-bromo-2-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129417204
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161732
1-(2-methoxy-5-methylphenyl)sulfonyl-5-methyl-1,4-diazepane
CID 82252101

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline?
The IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline (CID 90560122) is 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline.
What is the SMILES notation for 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline?
The canonical SMILES for 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline is COc1ccc(C)cc1S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline?
The InChIKey is TXRYJTHSAIOXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15-7-8-19(27-2)20(13-15)29(25,26)24-11-9-16(10-12-24)28-21-14-22-17-5-3-4-6-18(17)23-21/h3-8,13-14,16H,9-12H2,1-2H3.
What are the key properties of 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline?
2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline has a molecular weight of 413.50 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline is sourced from PubChem (CID 90560122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).