N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide

C17H16N4O3S — CID 52934736

IUPACN-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1C
InChIInChI=1S/C17H16N4O3S/c1-12-6-7-15(9-13(12)2)25(23,24)21-11-14(10-19-21)20-17(22)16-5-3-4-8-18-16/h3-11H,1-2H3,(H,20,22)
InChIKeyZLRQIAUBXZZDPH-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide

N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 52934736) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID52934736
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1C
InChIInChI=1S/C17H16N4O3S/c1-12-6-7-15(9-13(12)2)25(23,24)21-11-14(10-19-21)20-17(22)16-5-3-4-8-18-16/h3-11H,1-2H3,(H,20,22)
InChIKeyZLRQIAUBXZZDPH-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (CID 52934736) is N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is ZLRQIAUBXZZDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-12-6-7-15(9-13(12)2)25(23,24)21-11-14(10-19-21)20-17(22)16-5-3-4-8-18-16/h3-11H,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
N-[1-(3,4-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-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52934736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).