4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C16H16N2O3S — CID 798681

IUPAC4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H16N2O3S/c1-11-7-8-12(2)15(9-11)22(20,21)18-10-16(19)17-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyYHUOAVWWKMTTJF-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.45
Rot. Bonds2

About 4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 798681) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID798681
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H16N2O3S/c1-11-7-8-12(2)15(9-11)22(20,21)18-10-16(19)17-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyYHUOAVWWKMTTJF-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 798681) is 4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is Cc1ccc(C)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is YHUOAVWWKMTTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-7-8-12(2)15(9-11)22(20,21)18-10-16(19)17-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 316.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 798681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).