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

C17H16N4O3S — CID 52935409

IUPACN-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c(C)c1
InChIInChI=1S/C17H16N4O3S/c1-12-6-7-16(13(2)9-12)25(23,24)21-11-14(10-19-21)20-17(22)15-5-3-4-8-18-15/h3-11H,1-2H3,(H,20,22)
InChIKeyWDQBRTXTBADQSP-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.38
Rot. Bonds4

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

N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 52935409) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID52935409
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c(C)c1
InChIInChI=1S/C17H16N4O3S/c1-12-6-7-16(13(2)9-12)25(23,24)21-11-14(10-19-21)20-17(22)15-5-3-4-8-18-15/h3-11H,1-2H3,(H,20,22)
InChIKeyWDQBRTXTBADQSP-UHFFFAOYSA-N
XLogP2.38
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Domatinostat
CID 15985904
1-(isoquinolin-7-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11059945
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659
N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913660
N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913768
N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913772
N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913885
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914105
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914548
N-(1-((3,4-dimethylphenyl)sulfonyl)-1H-pyrrol-3-yl)picolinamide
CID 52914664
N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934736
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (CID 52935409) is N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is WDQBRTXTBADQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-12-6-7-16(13(2)9-12)25(23,24)21-11-14(10-19-21)20-17(22)15-5-3-4-8-18-15/h3-11H,1-2H3,(H,20,22).
What are the key properties of N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52935409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).