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

C19H12F2N4O4S — CID 71726496

IUPACN-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ncc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C19H12F2N4O4S/c20-12-4-13(21)6-14(5-12)30(27,28)15-7-23-18(24-8-15)10-25-19(26)16-3-11-1-2-22-9-17(11)29-16/h1-9H,10H2,(H,25,26)
InChIKeyUCRGOXGPKBPHMA-UHFFFAOYSA-N
MW430.39 g/mol
LogP2.66
Rot. Bonds5

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

N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71726496) has the molecular formula C19H12F2N4O4S and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71726496
Molecular FormulaC19H12F2N4O4S
Molecular Weight430.39 g/mol
Exact Mass430.05
IUPAC NameN-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ncc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C19H12F2N4O4S/c20-12-4-13(21)6-14(5-12)30(27,28)15-7-23-18(24-8-15)10-25-19(26)16-3-11-1-2-22-9-17(11)29-16/h1-9H,10H2,(H,25,26)
InChIKeyUCRGOXGPKBPHMA-UHFFFAOYSA-N
XLogP2.66
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71726496) is N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ncc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1.
What is the InChIKey of N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is UCRGOXGPKBPHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O4S/c20-12-4-13(21)6-14(5-12)30(27,28)15-7-23-18(24-8-15)10-25-19(26)16-3-11-1-2-22-9-17(11)29-16/h1-9H,10H2,(H,25,26).
What are the key properties of N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71726496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).