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

C15H9F3N4O3S — CID 52935412

IUPACN-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)c2ccc(F)c(F)c2F)c1)c1ccccn1
InChIInChI=1S/C15H9F3N4O3S/c16-10-4-5-12(14(18)13(10)17)26(24,25)22-8-9(7-20-22)21-15(23)11-3-1-2-6-19-11/h1-8H,(H,21,23)
InChIKeyKUBZRKMLPXTNNN-UHFFFAOYSA-N
MW382.32 g/mol
LogP2.18
Rot. Bonds4

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

N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 52935412) has the molecular formula C15H9F3N4O3S and a molecular weight of 382.32 g/mol. Its IUPAC name is N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID52935412
Molecular FormulaC15H9F3N4O3S
Molecular Weight382.32 g/mol
Exact Mass382.03
IUPAC NameN-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)c2ccc(F)c(F)c2F)c1)c1ccccn1
InChIInChI=1S/C15H9F3N4O3S/c16-10-4-5-12(14(18)13(10)17)26(24,25)22-8-9(7-20-22)21-15(23)11-3-1-2-6-19-11/h1-8H,(H,21,23)
InChIKeyKUBZRKMLPXTNNN-UHFFFAOYSA-N
XLogP2.18
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16122506
N-(4-(N-(2-fluorophenyl)sulfamoyl)phenyl)picolinamide
CID 45111509
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-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914100
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)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-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (CID 52935412) is N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(S(=O)(=O)c2ccc(F)c(F)c2F)c1)c1ccccn1.
What is the InChIKey of N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is KUBZRKMLPXTNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O3S/c16-10-4-5-12(14(18)13(10)17)26(24,25)22-8-9(7-20-22)21-15(23)11-3-1-2-6-19-11/h1-8H,(H,21,23).
What are the key properties of N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 382.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52935412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).