4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide

C21H20ClN5O5S — CID 55554248

IUPAC4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCCn1c(=O)c(=O)n(Cc2nnc(-c3ccccc3Cl)o2)c2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C21H20ClN5O5S/c1-4-26-16-10-9-13(33(30,31)25(2)3)11-17(16)27(21(29)20(26)28)12-18-23-24-19(32-18)14-7-5-6-8-15(14)22/h5-11H,4,12H2,1-3H3
InChIKeyPCGSWCNDNCPGNZ-UHFFFAOYSA-N
MW489.94 g/mol
LogP2.19
Rot. Bonds6

About 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide

4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide (PubChem CID 55554248) has the molecular formula C21H20ClN5O5S and a molecular weight of 489.94 g/mol. Its IUPAC name is 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide.

Molecular Properties

Compound Name4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
PubChem CID55554248
Molecular FormulaC21H20ClN5O5S
Molecular Weight489.94 g/mol
Exact Mass489.09
IUPAC Name4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCCn1c(=O)c(=O)n(Cc2nnc(-c3ccccc3Cl)o2)c2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C21H20ClN5O5S/c1-4-26-16-10-9-13(33(30,31)25(2)3)11-17(16)27(21(29)20(26)28)12-18-23-24-19(32-18)14-7-5-6-8-15(14)22/h5-11H,4,12H2,1-3H3
InChIKeyPCGSWCNDNCPGNZ-UHFFFAOYSA-N
XLogP2.19
TPSA120.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.94
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 112796691
1-ethyl-4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 24667569
5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione
CID 43052720
1-ethyl-4-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 55359265
4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 124721436
2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
CID 45029366
phenyl 2-[6-(dimethylsulfamoyl)-3-ethyl-2-oxobenzimidazol-1-yl]ethanesulfonate
CID 30872740
2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 27128804
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 42632515
1-ethyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzimidazole-5-sulfonamide
CID 17412948
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17468535
1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide
CID 55601783

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The IUPAC name of 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide (CID 55554248) is 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide.
What is the SMILES notation for 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The canonical SMILES for 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide is CCn1c(=O)c(=O)n(Cc2nnc(-c3ccccc3Cl)o2)c2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The InChIKey is PCGSWCNDNCPGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O5S/c1-4-26-16-10-9-13(33(30,31)25(2)3)11-17(16)27(21(29)20(26)28)12-18-23-24-19(32-18)14-7-5-6-8-15(14)22/h5-11H,4,12H2,1-3H3.
What are the key properties of 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide has a molecular weight of 489.94 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide is sourced from PubChem (CID 55554248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).