4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one

C14H12N2O3S — CID 1093237

IUPAC4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1
InChIInChI=1S/C14H12N2O3S/c17-14-10-16(13-9-5-4-8-12(13)15-14)20(18,19)11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
InChIKeyUTVUJCAHSHFXCQ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.83
Rot. Bonds2

About 4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one

4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 1093237) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID1093237
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1
InChIInChI=1S/C14H12N2O3S/c17-14-10-16(13-9-5-4-8-12(13)15-14)20(18,19)11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
InChIKeyUTVUJCAHSHFXCQ-UHFFFAOYSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one (CID 1093237) is 4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1.
What is the InChIKey of 4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is UTVUJCAHSHFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-14-10-16(13-9-5-4-8-12(13)15-14)20(18,19)11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17).
What are the key properties of 4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one?
4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 288.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 1093237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).