N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide

C18H13F2NO4S — CID 166204401

IUPACN-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)o1
InChIInChI=1S/C18H13F2NO4S/c1-26(23,24)17-9-8-16(25-17)18(22)21-15-7-6-13(20)10-14(15)11-2-4-12(19)5-3-11/h2-10H,1H3,(H,21,22)
InChIKeyMWSFHVIYOBIXTH-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.88
Rot. Bonds4

About N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide

N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide (PubChem CID 166204401) has the molecular formula C18H13F2NO4S and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide
PubChem CID166204401
Molecular FormulaC18H13F2NO4S
Molecular Weight377.37 g/mol
Exact Mass377.05
IUPAC NameN-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)o1
InChIInChI=1S/C18H13F2NO4S/c1-26(23,24)17-9-8-16(25-17)18(22)21-15-7-6-13(20)10-14(15)11-2-4-12(19)5-3-11/h2-10H,1H3,(H,21,22)
InChIKeyMWSFHVIYOBIXTH-UHFFFAOYSA-N
XLogP3.88
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide (CID 166204401) is N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)o1.
What is the InChIKey of N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide?
The InChIKey is MWSFHVIYOBIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO4S/c1-26(23,24)17-9-8-16(25-17)18(22)21-15-7-6-13(20)10-14(15)11-2-4-12(19)5-3-11/h2-10H,1H3,(H,21,22).
What are the key properties of N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide?
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 166204401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).