4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C16H16N2O3S — CID 851173

IUPAC4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H16N2O3S/c1-2-12-7-9-13(10-8-12)22(20,21)18-11-16(19)17-14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyQDJOCYRUUYSVON-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.40
Rot. Bonds3

About 4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 851173) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID851173
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H16N2O3S/c1-2-12-7-9-13(10-8-12)22(20,21)18-11-16(19)17-14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyQDJOCYRUUYSVON-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 851173) is 4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is CCc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is QDJOCYRUUYSVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-2-12-7-9-13(10-8-12)22(20,21)18-11-16(19)17-14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3,(H,17,19).
What are the key properties of 4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 316.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 851173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).