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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Related Compounds

4-[(4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2,6-dimethylphenol
CID 11711064
5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline
CID 69069134
1-[5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]thiophen-2-yl]ethanone
CID 10413774
4-[[6-ethyl-2-[(E)-hept-1-enyl]-6H-phenanthridin-5-yl]sulfonyl]-2-methylphenol
CID 10457661
5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione
CID 10097062
4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 11740455
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301578
silver 4-hydroxy-3-methylbenzenesulfonate
CID 174992481
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
(4S)-N-(2,3-dimethylphenyl)-4-ethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92747528
[4-[[(4S)-1-cyano-4-ethyl-7,8-difluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]sulfonyl]-2-methylphenyl] sulfamate
CID 69063918

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).