N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide

C18H13F3N2O4S — CID 5048718

IUPACN-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C18H13F3N2O4S/c19-18(20,21)12-6-9-16(22-10-12)28(25,26)11-14-7-8-15(27-14)17(24)23-13-4-2-1-3-5-13/h1-10H,11H2,(H,23,24)
InChIKeyGCYCUDCFJHTABH-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.92
Rot. Bonds5

About N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide

N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide (PubChem CID 5048718) has the molecular formula C18H13F3N2O4S and a molecular weight of 410.37 g/mol. Its IUPAC name is N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide
PubChem CID5048718
Molecular FormulaC18H13F3N2O4S
Molecular Weight410.37 g/mol
Exact Mass410.05
IUPAC NameN-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C18H13F3N2O4S/c19-18(20,21)12-6-9-16(22-10-12)28(25,26)11-14-7-8-15(27-14)17(24)23-13-4-2-1-3-5-13/h1-10H,11H2,(H,23,24)
InChIKeyGCYCUDCFJHTABH-UHFFFAOYSA-N
XLogP3.92
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55488951
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 120604579
2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine
CID 2744963
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114750435
5-(benzenesulfonylmethyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 29408962
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]isoquinoline-1-carboxamide
CID 127037692
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19465856
2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 59662666

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide (CID 5048718) is N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide is O=C(Nc1ccccc1)c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide?
The InChIKey is GCYCUDCFJHTABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4S/c19-18(20,21)12-6-9-16(22-10-12)28(25,26)11-14-7-8-15(27-14)17(24)23-13-4-2-1-3-5-13/h1-10H,11H2,(H,23,24).
What are the key properties of N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide?
N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide has a molecular weight of 410.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 5048718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).