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

C15H14N2O3S — CID 759494

IUPAC4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H14N2O3S/c1-11-6-8-12(9-7-11)21(19,20)17-10-15(18)16-13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,16,18)
InChIKeyWUMSGBCXWWUVAN-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.14
Rot. Bonds2

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

4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 759494) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID759494
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H14N2O3S/c1-11-6-8-12(9-7-11)21(19,20)17-10-15(18)16-13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,16,18)
InChIKeyWUMSGBCXWWUVAN-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 759494) is 4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is Cc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is WUMSGBCXWWUVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11-6-8-12(9-7-11)21(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-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 302.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 759494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).