[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C17H19ClN2O6S — CID 7419173

IUPAC[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C)o1
InChIInChI=1S/C17H19ClN2O6S/c1-10-7-13(11(2)26-10)17(22)25-9-16(21)19-15-8-12(5-6-14(15)18)27(23,24)20(3)4/h5-8H,9H2,1-4H3,(H,19,21)
InChIKeyNVEZUQGCOFVEBP-UHFFFAOYSA-N
MW414.87 g/mol
LogP2.60
Rot. Bonds6

About [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 7419173) has the molecular formula C17H19ClN2O6S and a molecular weight of 414.87 g/mol. Its IUPAC name is [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID7419173
Molecular FormulaC17H19ClN2O6S
Molecular Weight414.87 g/mol
Exact Mass414.07
IUPAC Name[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C)o1
InChIInChI=1S/C17H19ClN2O6S/c1-10-7-13(11(2)26-10)17(22)25-9-16(21)19-15-8-12(5-6-14(15)18)27(23,24)20(3)4/h5-8H,9H2,1-4H3,(H,19,21)
InChIKeyNVEZUQGCOFVEBP-UHFFFAOYSA-N
XLogP2.60
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861610
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524372
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 3985158
4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 26895477
[2-(2,4-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2435715
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7419100
[2-(3,4-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584847
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523899
[2-(2,6-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2361469
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7817850
[2-(2-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523972
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 5097926

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 7419173) is [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C)o1.
What is the InChIKey of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is NVEZUQGCOFVEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O6S/c1-10-7-13(11(2)26-10)17(22)25-9-16(21)19-15-8-12(5-6-14(15)18)27(23,24)20(3)4/h5-8H,9H2,1-4H3,(H,19,21).
What are the key properties of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 414.87 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 7419173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).