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

C20H13F3N4O4S — CID 118193539

IUPACN-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C20H13F3N4O4S/c21-20(22,23)13-2-1-3-14(7-13)32(29,30)15-8-25-18(26-9-15)11-27-19(28)16-6-12-4-5-24-10-17(12)31-16/h1-10H,11H2,(H,27,28)
InChIKeyVAFFIABOPKYEGJ-UHFFFAOYSA-N
MW462.41 g/mol
LogP3.40
Rot. Bonds5

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

N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 118193539) has the molecular formula C20H13F3N4O4S and a molecular weight of 462.41 g/mol. Its IUPAC name is N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID118193539
Molecular FormulaC20H13F3N4O4S
Molecular Weight462.41 g/mol
Exact Mass462.06
IUPAC NameN-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C20H13F3N4O4S/c21-20(22,23)13-2-1-3-14(7-13)32(29,30)15-8-25-18(26-9-15)11-27-19(28)16-6-12-4-5-24-10-17(12)31-16/h1-10H,11H2,(H,27,28)
InChIKeyVAFFIABOPKYEGJ-UHFFFAOYSA-N
XLogP3.40
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 118193539) is N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1cc2ccncc2o1.
What is the InChIKey of N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is VAFFIABOPKYEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O4S/c21-20(22,23)13-2-1-3-14(7-13)32(29,30)15-8-25-18(26-9-15)11-27-19(28)16-6-12-4-5-24-10-17(12)31-16/h1-10H,11H2,(H,27,28).
What are the key properties of N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 462.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118193539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).