1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

C24H19FN4O4S — CID 2405668

IUPAC1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCOc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)c(OC)c1
InChIInChI=1S/C24H19FN4O4S/c1-32-15-9-12-19(20(13-15)33-2)29-23(26)22(34(30,31)16-10-7-14(25)8-11-16)21-24(29)28-18-6-4-3-5-17(18)27-21/h3-13H,26H2,1-2H3
InChIKeyAPMBUARKQMAXHS-UHFFFAOYSA-N
MW478.51 g/mol
LogP4.14
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 2405668) has the molecular formula C24H19FN4O4S and a molecular weight of 478.51 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID2405668
Molecular FormulaC24H19FN4O4S
Molecular Weight478.51 g/mol
Exact Mass478.11
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCOc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)c(OC)c1
InChIInChI=1S/C24H19FN4O4S/c1-32-15-9-12-19(20(13-15)33-2)29-23(26)22(34(30,31)16-10-7-14(25)8-11-16)21-24(29)28-18-6-4-3-5-17(18)27-21/h3-13H,26H2,1-2H3
InChIKeyAPMBUARKQMAXHS-UHFFFAOYSA-N
XLogP4.14
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 2405668) is 1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is COc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is APMBUARKQMAXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4S/c1-32-15-9-12-19(20(13-15)33-2)29-23(26)22(34(30,31)16-10-7-14(25)8-11-16)21-24(29)28-18-6-4-3-5-17(18)27-21/h3-13H,26H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 478.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 2405668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).