N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide

C17H14F2N4O3S — CID 71260481

IUPACN-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCC(F)(F)c1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1
InChIInChI=1S/C17H14F2N4O3S/c1-17(18,19)12-5-7-14(8-6-12)27(25,26)23-11-13(10-21-23)22-16(24)15-4-2-3-9-20-15/h2-11H,1H3,(H,22,24)
InChIKeyDWEAWQMMDAXADT-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.88
Rot. Bonds5

About N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide

N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 71260481) has the molecular formula C17H14F2N4O3S and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID71260481
Molecular FormulaC17H14F2N4O3S
Molecular Weight392.39 g/mol
Exact Mass392.08
IUPAC NameN-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCC(F)(F)c1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1
InChIInChI=1S/C17H14F2N4O3S/c1-17(18,19)12-5-7-14(8-6-12)27(25,26)23-11-13(10-21-23)22-16(24)15-4-2-3-9-20-15/h2-11H,1H3,(H,22,24)
InChIKeyDWEAWQMMDAXADT-UHFFFAOYSA-N
XLogP2.88
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(furan-2-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 52935837
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 71260417
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 147607996
N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914667
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 159867828
1-(4-tert-butylphenyl)sulfonylpyrazole
CID 843460
N-[4-(methylsulfonylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 146154862
N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide
CID 123141951
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 169307902
N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53167977

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide (CID 71260481) is N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide is CC(F)(F)c1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1.
What is the InChIKey of N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is DWEAWQMMDAXADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3S/c1-17(18,19)12-5-7-14(8-6-12)27(25,26)23-11-13(10-21-23)22-16(24)15-4-2-3-9-20-15/h2-11H,1H3,(H,22,24).
What are the key properties of N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71260481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).