2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide

C27H20FN3O4S — CID 5237327

IUPAC2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C27H20FN3O4S/c28-19-12-10-18(11-13-19)26-16-24(23-8-1-2-9-25(23)31-26)27(32)30-20-5-3-7-22(15-20)36(33,34)29-17-21-6-4-14-35-21/h1-16,29H,17H2,(H,30,32)
InChIKeyKUJAJRBKFGZHRW-UHFFFAOYSA-N
MW501.54 g/mol
LogP5.36
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide

2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 5237327) has the molecular formula C27H20FN3O4S and a molecular weight of 501.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID5237327
Molecular FormulaC27H20FN3O4S
Molecular Weight501.54 g/mol
Exact Mass501.12
IUPAC Name2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C27H20FN3O4S/c28-19-12-10-18(11-13-19)26-16-24(23-8-1-2-9-25(23)31-26)27(32)30-20-5-3-7-22(15-20)36(33,34)29-17-21-6-4-14-35-21/h1-16,29H,17H2,(H,30,32)
InChIKeyKUJAJRBKFGZHRW-UHFFFAOYSA-N
XLogP5.36
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.54
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 5237327) is 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is KUJAJRBKFGZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O4S/c28-19-12-10-18(11-13-19)26-16-24(23-8-1-2-9-25(23)31-26)27(32)30-20-5-3-7-22(15-20)36(33,34)29-17-21-6-4-14-35-21/h1-16,29H,17H2,(H,30,32).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide?
2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 5237327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).