2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline

C19H18FN3O3S — CID 126854612

IUPAC2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H18FN3O3S/c1-13-10-14(20)6-7-18(13)27(24,25)23-9-8-15(12-23)26-19-11-21-16-4-2-3-5-17(16)22-19/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeySBXUBYHPPRSNFU-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.92
Rot. Bonds4

About 2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline

2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline (PubChem CID 126854612) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
PubChem CID126854612
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H18FN3O3S/c1-13-10-14(20)6-7-18(13)27(24,25)23-9-8-15(12-23)26-19-11-21-16-4-2-3-5-17(16)22-19/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeySBXUBYHPPRSNFU-UHFFFAOYSA-N
XLogP2.92
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126850669
1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 126850668
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
CID 110605443
2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560122
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560120
(2,4-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559977
N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90637690
N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
CID 90560100
2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560127

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline?
The IUPAC name of 2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline (CID 126854612) is 2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline.
What is the SMILES notation for 2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline?
The canonical SMILES for 2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline is Cc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)C1.
What is the InChIKey of 2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline?
The InChIKey is SBXUBYHPPRSNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13-10-14(20)6-7-18(13)27(24,25)23-9-8-15(12-23)26-19-11-21-16-4-2-3-5-17(16)22-19/h2-7,10-11,15H,8-9,12H2,1H3.
What are the key properties of 2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline?
2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline has a molecular weight of 387.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline is sourced from PubChem (CID 126854612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).