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

C17H16N4O3S — CID 52935413

IUPACN-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1
InChIInChI=1S/C17H16N4O3S/c1-2-13-6-8-15(9-7-13)25(23,24)21-12-14(11-19-21)20-17(22)16-5-3-4-10-18-16/h3-12H,2H2,1H3,(H,20,22)
InChIKeySTECEBJXYKEXJS-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.33
Rot. Bonds5

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

N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 52935413) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID52935413
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1
InChIInChI=1S/C17H16N4O3S/c1-2-13-6-8-15(9-7-13)25(23,24)21-12-14(11-19-21)20-17(22)16-5-3-4-10-18-16/h3-12H,2H2,1H3,(H,20,22)
InChIKeySTECEBJXYKEXJS-UHFFFAOYSA-N
XLogP2.33
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11059945
N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
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CID 894979
(2R)-N-[(4-(18F)fluoro-2-pyridinyl)methyl]-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 155521368
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659
N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913660
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CID 52913768

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (CID 52935413) is N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is CCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is STECEBJXYKEXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-2-13-6-8-15(9-7-13)25(23,24)21-12-14(11-19-21)20-17(22)16-5-3-4-10-18-16/h3-12H,2H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52935413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).