5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide

C20H14ClF4NO4S — CID 46857835

IUPAC5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(CS(=O)(=O)c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C20H14ClF4NO4S/c21-16-9-15(6-7-17(16)22)31(28,29)11-14-5-8-18(30-14)19(27)26-10-12-1-3-13(4-2-12)20(23,24)25/h1-9H,10-11H2,(H,26,27)
InChIKeyXHQQCHSYICRESR-UHFFFAOYSA-N
MW475.85 g/mol
LogP4.99
Rot. Bonds6

About 5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide

5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 46857835) has the molecular formula C20H14ClF4NO4S and a molecular weight of 475.85 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID46857835
Molecular FormulaC20H14ClF4NO4S
Molecular Weight475.85 g/mol
Exact Mass475.03
IUPAC Name5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(CS(=O)(=O)c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C20H14ClF4NO4S/c21-16-9-15(6-7-17(16)22)31(28,29)11-14-5-8-18(30-14)19(27)26-10-12-1-3-13(4-2-12)20(23,24)25/h1-9H,10-11H2,(H,26,27)
InChIKeyXHQQCHSYICRESR-UHFFFAOYSA-N
XLogP4.99
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.85
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 46857860
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 20859726
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 46857842
4-[(3-chloro-4-fluorophenyl)methylsulfonyl]-2-fluoroaniline
CID 103042395
N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide
CID 42753762
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
5-(benzenesulfonylmethyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 29408962
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide (CID 46857835) is 5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(CS(=O)(=O)c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is XHQQCHSYICRESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF4NO4S/c21-16-9-15(6-7-17(16)22)31(28,29)11-14-5-8-18(30-14)19(27)26-10-12-1-3-13(4-2-12)20(23,24)25/h1-9H,10-11H2,(H,26,27).
What are the key properties of 5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 475.85 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46857835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).