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

C22H18N4O3S — CID 662757

IUPAC1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C22H18N4O3S/c1-14-8-10-16(11-9-14)30(27,28)20-19-22(25-18-7-3-2-6-17(18)24-19)26(21(20)23)13-15-5-4-12-29-15/h2-12H,13,23H2,1H3
InChIKeyNCEMGFAMKXNCHB-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.95
Rot. Bonds4

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

1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 662757) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID662757
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C22H18N4O3S/c1-14-8-10-16(11-9-14)30(27,28)20-19-22(25-18-7-3-2-6-17(18)24-19)26(21(20)23)13-15-5-4-12-29-15/h2-12H,13,23H2,1H3
InChIKeyNCEMGFAMKXNCHB-UHFFFAOYSA-N
XLogP3.95
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 662757) is 1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is Cc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is NCEMGFAMKXNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-14-8-10-16(11-9-14)30(27,28)20-19-22(25-18-7-3-2-6-17(18)24-19)26(21(20)23)13-15-5-4-12-29-15/h2-12H,13,23H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 418.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 662757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).