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[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate

C23H23ClN2O6S — CID 43026775

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C23H23ClN2O6S/c1-14(2)26-33(29,30)17-10-8-16(9-11-17)25-22(27)15(3)31-23(28)21-13-12-20(32-21)18-6-4-5-7-19(18)24/h4-15,26H,1-3H3,(H,25,27)
InChIKeyJBFDNMLKCJRKFW-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.47
Rot. Bonds8

About [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate

[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate (PubChem CID 43026775) has the molecular formula C23H23ClN2O6S and a molecular weight of 490.97 g/mol. Its IUPAC name is [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
PubChem CID43026775
Molecular FormulaC23H23ClN2O6S
Molecular Weight490.97 g/mol
Exact Mass490.10
IUPAC Name[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C23H23ClN2O6S/c1-14(2)26-33(29,30)17-10-8-16(9-11-17)25-22(27)15(3)31-23(28)21-13-12-20(32-21)18-6-4-5-7-19(18)24/h4-15,26H,1-3H3,(H,25,27)
InChIKeyJBFDNMLKCJRKFW-UHFFFAOYSA-N
XLogP4.47
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate?
The IUPAC name of [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate (CID 43026775) is [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate.
What is the SMILES notation for [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate?
The canonical SMILES for [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate is CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(-c3ccccc3Cl)o2)cc1.
What is the InChIKey of [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate?
The InChIKey is JBFDNMLKCJRKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O6S/c1-14(2)26-33(29,30)17-10-8-16(9-11-17)25-22(27)15(3)31-23(28)21-13-12-20(32-21)18-6-4-5-7-19(18)24/h4-15,26H,1-3H3,(H,25,27).
What are the key properties of [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate?
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate has a molecular weight of 490.97 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate is sourced from PubChem (CID 43026775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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