ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate

C21H20ClNO5S — CID 2742852

IUPACethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(-c2ccc(Cl)cc2)c1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H20ClNO5S/c1-4-27-21(24)18-14(3)28-19(15-8-10-16(22)11-9-15)20(18)29(25,26)23-17-7-5-6-13(2)12-17/h5-12,23H,4H2,1-3H3
InChIKeyOGLQYXPKECWVFW-UHFFFAOYSA-N
MW433.91 g/mol
LogP5.19
Rot. Bonds6

About ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate

ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate (PubChem CID 2742852) has the molecular formula C21H20ClNO5S and a molecular weight of 433.91 g/mol. Its IUPAC name is ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate
PubChem CID2742852
Molecular FormulaC21H20ClNO5S
Molecular Weight433.91 g/mol
Exact Mass433.08
IUPAC Nameethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(-c2ccc(Cl)cc2)c1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H20ClNO5S/c1-4-27-21(24)18-14(3)28-19(15-8-10-16(22)11-9-15)20(18)29(25,26)23-17-7-5-6-13(2)12-17/h5-12,23H,4H2,1-3H3
InChIKeyOGLQYXPKECWVFW-UHFFFAOYSA-N
XLogP5.19
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.91
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate
CID 2742836
ethyl 4-[(3,4-difluorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938481
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate
CID 171977289
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 5000421
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
ethyl 7-chloro-5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 25042342
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409
ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate
CID 20923345
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
methyl 3-[(3-ethoxycarbonylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16956736

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate?
The IUPAC name of ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate (CID 2742852) is ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate?
The canonical SMILES for ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate is CCOC(=O)c1c(C)oc(-c2ccc(Cl)cc2)c1S(=O)(=O)Nc1cccc(C)c1.
What is the InChIKey of ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate?
The InChIKey is OGLQYXPKECWVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO5S/c1-4-27-21(24)18-14(3)28-19(15-8-10-16(22)11-9-15)20(18)29(25,26)23-17-7-5-6-13(2)12-17/h5-12,23H,4H2,1-3H3.
What are the key properties of ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate?
ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate has a molecular weight of 433.91 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 2742852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).