acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide

C18H11N3O2S — CID 158445835

IUPACacenaphthyleno[1,2-b]quinoxaline-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c3c(cccc3c1)-c1nc3ccccc3nc1-2
InChIInChI=1S/C18H11N3O2S/c19-24(22,23)11-8-10-4-3-5-12-16(10)13(9-11)18-17(12)20-14-6-1-2-7-15(14)21-18/h1-9H,(H2,19,22,23)
InChIKeyMWPFGZOEMCHOEE-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.08
Rot. Bonds1

About acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide

acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide (PubChem CID 158445835) has the molecular formula C18H11N3O2S and a molecular weight of 333.37 g/mol. Its IUPAC name is acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide.

Molecular Properties

Compound Nameacenaphthyleno[1,2-b]quinoxaline-5-sulfonamide
PubChem CID158445835
Molecular FormulaC18H11N3O2S
Molecular Weight333.37 g/mol
Exact Mass333.06
IUPAC Nameacenaphthyleno[1,2-b]quinoxaline-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c3c(cccc3c1)-c1nc3ccccc3nc1-2
InChIInChI=1S/C18H11N3O2S/c19-24(22,23)11-8-10-4-3-5-12-16(10)13(9-11)18-17(12)20-14-6-1-2-7-15(14)21-18/h1-9H,(H2,19,22,23)
InChIKeyMWPFGZOEMCHOEE-UHFFFAOYSA-N
XLogP3.08
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline
CID 158445836
3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
CID 58122097
acenaphthyleno[1,2-b]quinoxaline;acetic acid;ethane;O-methylsulfanyloxyhydroxylamine
CID 161190270
2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline
CID 154589142
acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile
CID 627610
quinoline-6-sulfonamide
CID 23273907
benzene-1,3-disulfonamide
CID 3090044
4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline
CID 1320006
9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline
CID 159278973
3-(2-fluorophenyl)benzenesulfonamide
CID 71091103
4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide
CID 154158256
tetrakis(acenaphthyleno[1,2-b]quinoxaline);acetic acid;ethane;methane;(sulfinatoamino)methane;bis(sulfur trioxide)
CID 159449479

Frequently Asked Questions

What is the IUPAC name of acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide?
The IUPAC name of acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide (CID 158445835) is acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide.
What is the SMILES notation for acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide?
The canonical SMILES for acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide is NS(=O)(=O)c1cc2c3c(cccc3c1)-c1nc3ccccc3nc1-2.
What is the InChIKey of acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide?
The InChIKey is MWPFGZOEMCHOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2S/c19-24(22,23)11-8-10-4-3-5-12-16(10)13(9-11)18-17(12)20-14-6-1-2-7-15(14)21-18/h1-9H,(H2,19,22,23).
What are the key properties of acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide?
acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide is sourced from PubChem (CID 158445835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).