2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline

C19H19N3O2S — CID 70685465

IUPAC2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-8-10-15(11-9-14)25(23,24)19-18(22-12-4-5-13-22)20-16-6-2-3-7-17(16)21-19/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyXOWOXNUWWRCORZ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.37
Rot. Bonds3

About 2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline

2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline (PubChem CID 70685465) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
PubChem CID70685465
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-8-10-15(11-9-14)25(23,24)19-18(22-12-4-5-13-22)20-16-6-2-3-7-17(16)21-19/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyXOWOXNUWWRCORZ-UHFFFAOYSA-N
XLogP3.37
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline (CID 70685465) is 2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline is Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is XOWOXNUWWRCORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-8-10-15(11-9-14)25(23,24)19-18(22-12-4-5-13-22)20-16-6-2-3-7-17(16)21-19/h2-3,6-11H,4-5,12-13H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 353.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 70685465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).