4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol

C20H20N2O3S — CID 11516181

IUPAC4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol
SMILESCCC1c2cccn2-c2ccccc2N1S(=O)(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C20H20N2O3S/c1-3-16-17-9-6-12-21(17)18-7-4-5-8-19(18)22(16)26(24,25)15-10-11-20(23)14(2)13-15/h4-13,16,23H,3H2,1-2H3
InChIKeySEOWXHWPXUCTRW-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.15
Rot. Bonds3

About 4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol

4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol (PubChem CID 11516181) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol.

Molecular Properties

Compound Name4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol
PubChem CID11516181
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol
SMILESCCC1c2cccn2-c2ccccc2N1S(=O)(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C20H20N2O3S/c1-3-16-17-9-6-12-21(17)18-7-4-5-8-19(18)22(16)26(24,25)15-10-11-20(23)14(2)13-15/h4-13,16,23H,3H2,1-2H3
InChIKeySEOWXHWPXUCTRW-UHFFFAOYSA-N
XLogP4.15
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol?
The IUPAC name of 4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol (CID 11516181) is 4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol.
What is the SMILES notation for 4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol?
The canonical SMILES for 4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol is CCC1c2cccn2-c2ccccc2N1S(=O)(=O)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol?
The InChIKey is SEOWXHWPXUCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-16-17-9-6-12-21(17)18-7-4-5-8-19(18)22(16)26(24,25)15-10-11-20(23)14(2)13-15/h4-13,16,23H,3H2,1-2H3.
What are the key properties of 4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol?
4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol has a molecular weight of 368.46 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2-methylphenol is sourced from PubChem (CID 11516181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).