4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C19H22N2O3S — CID 2083849

IUPAC4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-13-9-10-14(19(2,3)4)11-17(13)25(23,24)21-12-18(22)20-15-7-5-6-8-16(15)21/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyGAOIYLGLDGVWOG-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.44
Rot. Bonds2

About 4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 2083849) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID2083849
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-13-9-10-14(19(2,3)4)11-17(13)25(23,24)21-12-18(22)20-15-7-5-6-8-16(15)21/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyGAOIYLGLDGVWOG-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
4-(4-Tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 991971
N-[4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]acetamide
CID 749170
N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3238453
N-(3-isopropylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 47952099
N-(4-isopropylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274420
N-(3-ethylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274483
N-(3-butylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274491
4-(4-Ethyl-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 851173
N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]propanamide
CID 893536
N-(4-sulfamoylphenyl)-2-(2-1,2,3,4-tetrahydroisoquinolyl)acetamide
CID 2549763
N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3245226

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 2083849) is 4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is GAOIYLGLDGVWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-9-10-14(19(2,3)4)11-17(13)25(23,24)21-12-18(22)20-15-7-5-6-8-16(15)21/h5-11H,12H2,1-4H3,(H,20,22).
What are the key properties of 4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 358.46 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2083849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).