1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

C18H16N4O2S — CID 665185

IUPAC1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2c(N)n(C)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C18H16N4O2S/c1-11-7-9-12(10-8-11)25(23,24)16-15-18(22(2)17(16)19)21-14-6-4-3-5-13(14)20-15/h3-10H,19H2,1-2H3
InChIKeyXFVQXEXVCJCDPZ-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.84
Rot. Bonds2

About 1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 665185) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID665185
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2c(N)n(C)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C18H16N4O2S/c1-11-7-9-12(10-8-11)25(23,24)16-15-18(22(2)17(16)19)21-14-6-4-3-5-13(14)20-15/h3-10H,19H2,1-2H3
InChIKeyXFVQXEXVCJCDPZ-UHFFFAOYSA-N
XLogP2.84
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 665185) is 1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is Cc1ccc(S(=O)(=O)c2c(N)n(C)c3nc4ccccc4nc23)cc1.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is XFVQXEXVCJCDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-11-7-9-12(10-8-11)25(23,24)16-15-18(22(2)17(16)19)21-14-6-4-3-5-13(14)20-15/h3-10H,19H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 352.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 665185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).