1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

C24H20N4O3S — CID 3982843

IUPAC1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C24H20N4O3S/c1-31-17-11-13-18(14-12-17)32(29,30)22-21-24(27-20-10-6-5-9-19(20)26-21)28(23(22)25)15-16-7-3-2-4-8-16/h2-14H,15,25H2,1H3
InChIKeyYJXQBKJBPBUZLU-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.06
Rot. Bonds5

About 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 3982843) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID3982843
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C24H20N4O3S/c1-31-17-11-13-18(14-12-17)32(29,30)22-21-24(27-20-10-6-5-9-19(20)26-21)28(23(22)25)15-16-7-3-2-4-8-16/h2-14H,15,25H2,1H3
InChIKeyYJXQBKJBPBUZLU-UHFFFAOYSA-N
XLogP4.06
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 3982843) is 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is COc1ccc(S(=O)(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1.
What is the InChIKey of 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is YJXQBKJBPBUZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-31-17-11-13-18(14-12-17)32(29,30)22-21-24(27-20-10-6-5-9-19(20)26-21)28(23(22)25)15-16-7-3-2-4-8-16/h2-14H,15,25H2,1H3.
What are the key properties of 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 444.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 3982843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).