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

C19H19N3O3S — CID 70687606

IUPAC2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
SMILESCOc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C19H19N3O3S/c1-25-14-8-10-15(11-9-14)26(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
InChIKeyIWLWXBKPLPLVDT-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.07
Rot. Bonds4

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

2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline (PubChem CID 70687606) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
PubChem CID70687606
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
SMILESCOc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C19H19N3O3S/c1-25-14-8-10-15(11-9-14)26(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
InChIKeyIWLWXBKPLPLVDT-UHFFFAOYSA-N
XLogP3.07
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline (CID 70687606) is 2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline is COc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is IWLWXBKPLPLVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-25-14-8-10-15(11-9-14)26(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-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 369.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 70687606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).