2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline

C19H18ClN3O3S — CID 126850669

IUPAC2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H18ClN3O3S/c1-13-15(20)5-4-8-18(13)27(24,25)23-10-9-14(12-23)26-19-11-21-16-6-2-3-7-17(16)22-19/h2-8,11,14H,9-10,12H2,1H3
InChIKeyBAVMIMCURYGTSR-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.43
Rot. Bonds4

About 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline

2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline (PubChem CID 126850669) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
PubChem CID126850669
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H18ClN3O3S/c1-13-15(20)5-4-8-18(13)27(24,25)23-10-9-14(12-23)26-19-11-21-16-6-2-3-7-17(16)22-19/h2-8,11,14H,9-10,12H2,1H3
InChIKeyBAVMIMCURYGTSR-UHFFFAOYSA-N
XLogP3.43
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126854612
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637208
1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 126850668
2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560122
3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636786
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109
2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247775
1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine
CID 101248459
3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 119100620
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560120
2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560127
N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
CID 90560100

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline (CID 126850669) is 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline is Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)C1.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline?
The InChIKey is BAVMIMCURYGTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-13-15(20)5-4-8-18(13)27(24,25)23-10-9-14(12-23)26-19-11-21-16-6-2-3-7-17(16)22-19/h2-8,11,14H,9-10,12H2,1H3.
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline?
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline has a molecular weight of 403.89 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline is sourced from PubChem (CID 126850669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).