N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide

C16H13FN4O3S — CID 51347211

IUPACN-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)ccc1F
InChIInChI=1S/C16H13FN4O3S/c1-11-8-13(5-6-14(11)17)25(23,24)21-10-12(9-19-21)20-16(22)15-4-2-3-7-18-15/h2-10H,1H3,(H,20,22)
InChIKeyWJJNFNAESNJERO-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.21
Rot. Bonds4

About N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide

N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 51347211) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID51347211
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC NameN-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)ccc1F
InChIInChI=1S/C16H13FN4O3S/c1-11-8-13(5-6-14(11)17)25(23,24)21-10-12(9-19-21)20-16(22)15-4-2-3-7-18-15/h2-10H,1H3,(H,20,22)
InChIKeyWJJNFNAESNJERO-UHFFFAOYSA-N
XLogP2.21
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (CID 51347211) is N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is Cc1cc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is WJJNFNAESNJERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c1-11-8-13(5-6-14(11)17)25(23,24)21-10-12(9-19-21)20-16(22)15-4-2-3-7-18-15/h2-10H,1H3,(H,20,22).
What are the key properties of N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 51347211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).