3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine

C23H20N4O3S — CID 2032163

IUPAC3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1C
InChIInChI=1S/C23H20N4O3S/c1-14-9-10-17(12-15(14)2)31(28,29)21-20-23(26-19-8-4-3-7-18(19)25-20)27(22(21)24)13-16-6-5-11-30-16/h3-12H,13,24H2,1-2H3
InChIKeyKTKVGRJHLNLWFL-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.26
Rot. Bonds4

About 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine

3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 2032163) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID2032163
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1C
InChIInChI=1S/C23H20N4O3S/c1-14-9-10-17(12-15(14)2)31(28,29)21-20-23(26-19-8-4-3-7-18(19)25-20)27(22(21)24)13-16-6-5-11-30-16/h3-12H,13,24H2,1-2H3
InChIKeyKTKVGRJHLNLWFL-UHFFFAOYSA-N
XLogP4.26
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine (CID 2032163) is 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine is Cc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is KTKVGRJHLNLWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-14-9-10-17(12-15(14)2)31(28,29)21-20-23(26-19-8-4-3-7-18(19)25-20)27(22(21)24)13-16-6-5-11-30-16/h3-12H,13,24H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 432.51 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 2032163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).