N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide

C17H16FN3O4S — CID 113092178

IUPACN-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCn2c(=O)c(=O)[nH]c3cc(F)ccc32)c1
InChIInChI=1S/C17H16FN3O4S/c1-11-3-2-4-13(9-11)26(24,25)19-7-8-21-15-6-5-12(18)10-14(15)20-16(22)17(21)23/h2-6,9-10,19H,7-8H2,1H3,(H,20,22)
InChIKeyIIDQJOWFKZETGR-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide

N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 113092178) has the molecular formula C17H16FN3O4S and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide
PubChem CID113092178
Molecular FormulaC17H16FN3O4S
Molecular Weight377.40 g/mol
Exact Mass377.08
IUPAC NameN-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCn2c(=O)c(=O)[nH]c3cc(F)ccc32)c1
InChIInChI=1S/C17H16FN3O4S/c1-11-3-2-4-13(9-11)26(24,25)19-7-8-21-15-6-5-12(18)10-14(15)20-16(22)17(21)23/h2-6,9-10,19H,7-8H2,1H3,(H,20,22)
InChIKeyIIDQJOWFKZETGR-UHFFFAOYSA-N
XLogP1.12
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline
CID 113092163
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113092280
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400828
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113092314
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110396494
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110396504
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 110326434
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 110719186
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110396500
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]-3-methylbenzamide
CID 110396408
6-fluoro-3-[2-(3-methylphenyl)ethyl]-1H-benzimidazole-2-thione
CID 63547117

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide (CID 113092178) is N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCCn2c(=O)c(=O)[nH]c3cc(F)ccc32)c1.
What is the InChIKey of N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is IIDQJOWFKZETGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S/c1-11-3-2-4-13(9-11)26(24,25)19-7-8-21-15-6-5-12(18)10-14(15)20-16(22)17(21)23/h2-6,9-10,19H,7-8H2,1H3,(H,20,22).
What are the key properties of N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide?
N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 377.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113092178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).