N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C22H14F4N2O4S — CID 90013163

IUPACN-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C22H14F4N2O4S/c23-16-8-15(22(24,25)26)9-18(10-16)33(30,31)17-3-1-13(2-4-17)11-28-21(29)19-7-14-5-6-27-12-20(14)32-19/h1-10,12H,11H2,(H,28,29)
InChIKeyZRIUIDFHORYSKC-UHFFFAOYSA-N
MW478.42 g/mol
LogP4.75
Rot. Bonds5

About N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90013163) has the molecular formula C22H14F4N2O4S and a molecular weight of 478.42 g/mol. Its IUPAC name is N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90013163
Molecular FormulaC22H14F4N2O4S
Molecular Weight478.42 g/mol
Exact Mass478.06
IUPAC NameN-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C22H14F4N2O4S/c23-16-8-15(22(24,25)26)9-18(10-16)33(30,31)17-3-1-13(2-4-17)11-28-21(29)19-7-14-5-6-27-12-20(14)32-19/h1-10,12H,11H2,(H,28,29)
InChIKeyZRIUIDFHORYSKC-UHFFFAOYSA-N
XLogP4.75
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 88919820
N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 146220992
N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66609129
N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 155093945
N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66610729
N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012795
N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123232842
N-[[5-[(5-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193628
N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123203809
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169
N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123785710
N-[[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]isoquinoline-7-carboxamide
CID 155109654

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90013163) is N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cc1)c1cc2ccncc2o1.
What is the InChIKey of N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ZRIUIDFHORYSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N2O4S/c23-16-8-15(22(24,25)26)9-18(10-16)33(30,31)17-3-1-13(2-4-17)11-28-21(29)19-7-14-5-6-27-12-20(14)32-19/h1-10,12H,11H2,(H,28,29).
What are the key properties of N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 478.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90013163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).