N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide

C20H18ClFN2O4S — CID 168786276

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1C
InChIInChI=1S/C20H18ClFN2O4S/c1-11-12(2)28-13(3)19(11)20(25)23-16-8-9-17(22)18(10-16)29(26,27)24-15-6-4-14(21)5-7-15/h4-10,24H,1-3H3,(H,23,25)
InChIKeyZVQZYLPWTPIJSI-UHFFFAOYSA-N
MW436.89 g/mol
LogP5.05
Rot. Bonds5

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 168786276) has the molecular formula C20H18ClFN2O4S and a molecular weight of 436.89 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide
PubChem CID168786276
Molecular FormulaC20H18ClFN2O4S
Molecular Weight436.89 g/mol
Exact Mass436.07
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1C
InChIInChI=1S/C20H18ClFN2O4S/c1-11-12(2)28-13(3)19(11)20(25)23-16-8-9-17(22)18(10-16)29(26,27)24-15-6-4-14(21)5-7-15/h4-10,24H,1-3H3,(H,23,25)
InChIKeyZVQZYLPWTPIJSI-UHFFFAOYSA-N
XLogP5.05
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.89
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide (CID 168786276) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1C.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is ZVQZYLPWTPIJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O4S/c1-11-12(2)28-13(3)19(11)20(25)23-16-8-9-17(22)18(10-16)29(26,27)24-15-6-4-14(21)5-7-15/h4-10,24H,1-3H3,(H,23,25).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 436.89 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 168786276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).