5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline

C20H18ClFN2O3S — CID 69069134

IUPAC5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline
SMILESCCC1c2cccn2-c2ccc(F)cc2N1S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C20H18ClFN2O3S/c1-3-16-17-5-4-10-23(17)18-8-6-13(22)11-19(18)24(16)28(25,26)14-7-9-20(27-2)15(21)12-14/h4-12,16H,3H2,1-2H3
InChIKeyIVWWFWLQABQTHG-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.94
Rot. Bonds4

About 5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline

5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline (PubChem CID 69069134) has the molecular formula C20H18ClFN2O3S and a molecular weight of 420.89 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline
PubChem CID69069134
Molecular FormulaC20H18ClFN2O3S
Molecular Weight420.89 g/mol
Exact Mass420.07
IUPAC Name5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline
SMILESCCC1c2cccn2-c2ccc(F)cc2N1S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C20H18ClFN2O3S/c1-3-16-17-5-4-10-23(17)18-8-6-13(22)11-19(18)24(16)28(25,26)14-7-9-20(27-2)15(21)12-14/h4-12,16H,3H2,1-2H3
InChIKeyIVWWFWLQABQTHG-UHFFFAOYSA-N
XLogP4.94
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline (CID 69069134) is 5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline is CCC1c2cccn2-c2ccc(F)cc2N1S(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline?
The InChIKey is IVWWFWLQABQTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3S/c1-3-16-17-5-4-10-23(17)18-8-6-13(22)11-19(18)24(16)28(25,26)14-7-9-20(27-2)15(21)12-14/h4-12,16H,3H2,1-2H3.
What are the key properties of 5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline?
5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline has a molecular weight of 420.89 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 69069134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).