4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline

C18H16N2O2S — CID 18422640

IUPAC4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline
SMILESO=S(=O)(c1cccc2ccccc12)N1CCNc2ccccc21
InChIInChI=1S/C18H16N2O2S/c21-23(22,18-11-5-7-14-6-1-2-8-15(14)18)20-13-12-19-16-9-3-4-10-17(16)20/h1-11,19H,12-13H2
InChIKeyHMGJCRIPPSVWME-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.46
Rot. Bonds2

About 4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline

4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline (PubChem CID 18422640) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline
PubChem CID18422640
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline
SMILESO=S(=O)(c1cccc2ccccc12)N1CCNc2ccccc21
InChIInChI=1S/C18H16N2O2S/c21-23(22,18-11-5-7-14-6-1-2-8-15(14)18)20-13-12-19-16-9-3-4-10-17(16)20/h1-11,19H,12-13H2
InChIKeyHMGJCRIPPSVWME-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline (CID 18422640) is 4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline is O=S(=O)(c1cccc2ccccc12)N1CCNc2ccccc21.
What is the InChIKey of 4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is HMGJCRIPPSVWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-23(22,18-11-5-7-14-6-1-2-8-15(14)18)20-13-12-19-16-9-3-4-10-17(16)20/h1-11,19H,12-13H2.
What are the key properties of 4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline?
4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 324.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 18422640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).