4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline

C12H15FN4O4S — CID 113092163

IUPAC4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline
SMILESCN(C)S(=O)(=O)NCCn1c(=O)c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C12H15FN4O4S/c1-16(2)22(20,21)14-5-6-17-10-4-3-8(13)7-9(10)15-11(18)12(17)19/h3-4,7,14H,5-6H2,1-2H3,(H,15,18)
InChIKeySPVOAFLJLWGGRX-UHFFFAOYSA-N
MW330.34 g/mol
LogP-0.78
Rot. Bonds5

About 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline

4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline (PubChem CID 113092163) has the molecular formula C12H15FN4O4S and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline.

Molecular Properties

Compound Name4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline
PubChem CID113092163
Molecular FormulaC12H15FN4O4S
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC Name4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline
SMILESCN(C)S(=O)(=O)NCCn1c(=O)c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C12H15FN4O4S/c1-16(2)22(20,21)14-5-6-17-10-4-3-8(13)7-9(10)15-11(18)12(17)19/h3-4,7,14H,5-6H2,1-2H3,(H,15,18)
InChIKeySPVOAFLJLWGGRX-UHFFFAOYSA-N
XLogP-0.78
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline with MolForge

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Related Compounds

N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 113092178
7-fluoro-4-propyl-1H-quinoxaline-2,3-dione
CID 10680528
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113092280
2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 113092143
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide
CID 113195779
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113092314
3-[4-(dimethylamino)butyl]-6-fluoro-1H-benzimidazol-2-one
CID 110491197
N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195747
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 113195807
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
CID 110396484
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3-methylbutanamide
CID 113092201
1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene
CID 110789026

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline?
The IUPAC name of 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline (CID 113092163) is 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline.
What is the SMILES notation for 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline?
The canonical SMILES for 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline is CN(C)S(=O)(=O)NCCn1c(=O)c(=O)[nH]c2cc(F)ccc21.
What is the InChIKey of 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline?
The InChIKey is SPVOAFLJLWGGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O4S/c1-16(2)22(20,21)14-5-6-17-10-4-3-8(13)7-9(10)15-11(18)12(17)19/h3-4,7,14H,5-6H2,1-2H3,(H,15,18).
What are the key properties of 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline?
4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline has a molecular weight of 330.34 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline is sourced from PubChem (CID 113092163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).