N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C22H15F3N2O4S — CID 71818875

IUPACN-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C22H15F3N2O4S/c23-22(24,25)16-2-1-3-18(11-16)32(29,30)17-6-4-14(5-7-17)12-27-21(28)19-10-15-8-9-26-13-20(15)31-19/h1-11,13H,12H2,(H,27,28)
InChIKeyWOOSRLWKGHQGTR-UHFFFAOYSA-N
MW460.43 g/mol
LogP4.61
Rot. Bonds5

About N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71818875) has the molecular formula C22H15F3N2O4S and a molecular weight of 460.43 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71818875
Molecular FormulaC22H15F3N2O4S
Molecular Weight460.43 g/mol
Exact Mass460.07
IUPAC NameN-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C22H15F3N2O4S/c23-22(24,25)16-2-1-3-18(11-16)32(29,30)17-6-4-14(5-7-17)12-27-21(28)19-10-15-8-9-26-13-20(15)31-19/h1-11,13H,12H2,(H,27,28)
InChIKeyWOOSRLWKGHQGTR-UHFFFAOYSA-N
XLogP4.61
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71818875) is N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cc2ccncc2o1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is WOOSRLWKGHQGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O4S/c23-22(24,25)16-2-1-3-18(11-16)32(29,30)17-6-4-14(5-7-17)12-27-21(28)19-10-15-8-9-26-13-20(15)31-19/h1-11,13H,12H2,(H,27,28).
What are the key properties of N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 460.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71818875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).