N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H16F2N4O4S — CID 118193622

IUPACN-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(F)(F)c1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1
InChIInChI=1S/C21H16F2N4O4S/c1-21(22,23)14-7-17(10-25-8-14)32(29,30)16-3-2-15(26-11-16)9-27-20(28)18-6-13-4-5-24-12-19(13)31-18/h2-8,10-12H,9H2,1H3,(H,27,28)
InChIKeyRJOHIDFWDKQXTP-UHFFFAOYSA-N
MW458.45 g/mol
LogP3.49
Rot. Bonds6

About N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 118193622) has the molecular formula C21H16F2N4O4S and a molecular weight of 458.45 g/mol. Its IUPAC name is N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID118193622
Molecular FormulaC21H16F2N4O4S
Molecular Weight458.45 g/mol
Exact Mass458.09
IUPAC NameN-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(F)(F)c1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1
InChIInChI=1S/C21H16F2N4O4S/c1-21(22,23)14-7-17(10-25-8-14)32(29,30)16-3-2-15(26-11-16)9-27-20(28)18-6-13-4-5-24-12-19(13)31-18/h2-8,10-12H,9H2,1H3,(H,27,28)
InChIKeyRJOHIDFWDKQXTP-UHFFFAOYSA-N
XLogP3.49
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 118193622) is N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(F)(F)c1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1.
What is the InChIKey of N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is RJOHIDFWDKQXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O4S/c1-21(22,23)14-7-17(10-25-8-14)32(29,30)16-3-2-15(26-11-16)9-27-20(28)18-6-13-4-5-24-12-19(13)31-18/h2-8,10-12H,9H2,1H3,(H,27,28).
What are the key properties of N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 458.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118193622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).