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

C16H14N4O3S — CID 52934741

IUPACN-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1
InChIInChI=1S/C16H14N4O3S/c1-12-5-7-14(8-6-12)24(22,23)20-11-13(10-18-20)19-16(21)15-4-2-3-9-17-15/h2-11H,1H3,(H,19,21)
InChIKeyKJOJLXQBZIJMLX-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.08
Rot. Bonds4

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

N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 52934741) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID52934741
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1
InChIInChI=1S/C16H14N4O3S/c1-12-5-7-14(8-6-12)24(22,23)20-11-13(10-18-20)19-16(21)15-4-2-3-9-17-15/h2-11H,1H3,(H,19,21)
InChIKeyKJOJLXQBZIJMLX-UHFFFAOYSA-N
XLogP2.08
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (CID 52934741) is N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is KJOJLXQBZIJMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-12-5-7-14(8-6-12)24(22,23)20-11-13(10-18-20)19-16(21)15-4-2-3-9-17-15/h2-11H,1H3,(H,19,21).
What are the key properties of N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52934741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).