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

C15H14N2O3S2 — CID 6494066

IUPAC4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCSc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H14N2O3S2/c1-21-11-6-8-12(9-7-11)22(19,20)17-10-15(18)16-13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,16,18)
InChIKeyZZEYPQKCLLXMPE-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.56
Rot. Bonds3

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

4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 6494066) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID6494066
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCSc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H14N2O3S2/c1-21-11-6-8-12(9-7-11)22(19,20)17-10-15(18)16-13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,16,18)
InChIKeyZZEYPQKCLLXMPE-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 6494066) is 4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is CSc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZZEYPQKCLLXMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-21-11-6-8-12(9-7-11)22(19,20)17-10-15(18)16-13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of 4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 6494066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).