N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H14F3N3O4S — CID 118193528

IUPACN-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C21H14F3N3O4S/c22-21(23,24)14-2-1-3-16(9-14)32(29,30)17-5-4-15(26-11-17)10-27-20(28)18-8-13-6-7-25-12-19(13)31-18/h1-9,11-12H,10H2,(H,27,28)
InChIKeyBMGVWAHHJUGSGT-UHFFFAOYSA-N
MW461.42 g/mol
LogP4.00
Rot. Bonds5

About N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 118193528) has the molecular formula C21H14F3N3O4S and a molecular weight of 461.42 g/mol. Its IUPAC name is N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID118193528
Molecular FormulaC21H14F3N3O4S
Molecular Weight461.42 g/mol
Exact Mass461.07
IUPAC NameN-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C21H14F3N3O4S/c22-21(23,24)14-2-1-3-16(9-14)32(29,30)17-5-4-15(26-11-17)10-27-20(28)18-8-13-6-7-25-12-19(13)31-18/h1-9,11-12H,10H2,(H,27,28)
InChIKeyBMGVWAHHJUGSGT-UHFFFAOYSA-N
XLogP4.00
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 118193528) is N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1cc2ccncc2o1.
What is the InChIKey of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is BMGVWAHHJUGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O4S/c22-21(23,24)14-2-1-3-16(9-14)32(29,30)17-5-4-15(26-11-17)10-27-20(28)18-8-13-6-7-25-12-19(13)31-18/h1-9,11-12H,10H2,(H,27,28).
What are the key properties of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 461.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118193528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).