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

C39H27F2N7O8S2 — CID 90012577

IUPACN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)c1cc2ccncc2o1.O=C(NCc1ncc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C20H15N3O4S.C19H12F2N4O4S/c24-20(18-10-14-8-9-21-13-19(14)27-18)23-11-15-6-7-17(12-22-15)28(25,26)16-4-2-1-3-5-16;20-12-4-13(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/h1-10,12-13H,11H2,(H,23,24);1-9H,10H2,(H,25,26)
InChIKeyTVPYOYPHESPZST-UHFFFAOYSA-N
MW823.82 g/mol
LogP5.64
Rot. Bonds10

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

N-[[5-(benzenesulfonyl)-2-pyridinyl]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 90012577) has the molecular formula C39H27F2N7O8S2 and a molecular weight of 823.82 g/mol. Its IUPAC name is N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(benzenesulfonyl)-2-pyridinyl]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 CID90012577
Molecular FormulaC39H27F2N7O8S2
Molecular Weight823.82 g/mol
Exact Mass823.13
IUPAC NameN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)c1cc2ccncc2o1.O=C(NCc1ncc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C20H15N3O4S.C19H12F2N4O4S/c24-20(18-10-14-8-9-21-13-19(14)27-18)23-11-15-6-7-17(12-22-15)28(25,26)16-4-2-1-3-5-16;20-12-4-13(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/h1-10,12-13H,11H2,(H,23,24);1-9H,10H2,(H,25,26)
InChIKeyTVPYOYPHESPZST-UHFFFAOYSA-N
XLogP5.64
TPSA217.21 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500823.82
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012577) is N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)c1cc2ccncc2o1.O=C(NCc1ncc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1.
What is the InChIKey of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is TVPYOYPHESPZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S.C19H12F2N4O4S/c24-20(18-10-14-8-9-21-13-19(14)27-18)23-11-15-6-7-17(12-22-15)28(25,26)16-4-2-1-3-5-16;20-12-4-13(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/h1-10,12-13H,11H2,(H,23,24);1-9H,10H2,(H,25,26).
What are the key properties of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-(benzenesulfonyl)-2-pyridinyl]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 823.82 g/mol, XLogP of 5.64, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).