N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide

C13H12Cl2F3N3O4S — CID 23661726

IUPACN-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23)
InChIKeyMVGABTCTHPSFLI-UHFFFAOYSA-N
MW434.22 g/mol
LogP2.63
Rot. Bonds5

About N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide

N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide (PubChem CID 23661726) has the molecular formula C13H12Cl2F3N3O4S and a molecular weight of 434.22 g/mol. Its IUPAC name is N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide
PubChem CID23661726
Molecular FormulaC13H12Cl2F3N3O4S
Molecular Weight434.22 g/mol
Exact Mass432.99
IUPAC NameN-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23)
InChIKeyMVGABTCTHPSFLI-UHFFFAOYSA-N
XLogP2.63
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The IUPAC name of N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide (CID 23661726) is N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide.
What is the SMILES notation for N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The canonical SMILES for N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide is CCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The InChIKey is MVGABTCTHPSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide has a molecular weight of 434.22 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(3,3,3-trifluoropropyl)ethanesulfonamide is sourced from PubChem (CID 23661726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).