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

C16H11F3N4O3S — CID 52935189

IUPACN-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccccn1
InChIInChI=1S/C16H11F3N4O3S/c17-16(18,19)11-4-6-13(7-5-11)27(25,26)23-10-12(9-21-23)22-15(24)14-3-1-2-8-20-14/h1-10H,(H,22,24)
InChIKeyITSUXYXWKUMHLN-UHFFFAOYSA-N
MW396.35 g/mol
LogP2.79
Rot. Bonds4

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

N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 52935189) has the molecular formula C16H11F3N4O3S and a molecular weight of 396.35 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID52935189
Molecular FormulaC16H11F3N4O3S
Molecular Weight396.35 g/mol
Exact Mass396.05
IUPAC NameN-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccccn1
InChIInChI=1S/C16H11F3N4O3S/c17-16(18,19)11-4-6-13(7-5-11)27(25,26)23-10-12(9-21-23)22-15(24)14-3-1-2-8-20-14/h1-10H,(H,22,24)
InChIKeyITSUXYXWKUMHLN-UHFFFAOYSA-N
XLogP2.79
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide (CID 52935189) is N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccccn1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is ITSUXYXWKUMHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3S/c17-16(18,19)11-4-6-13(7-5-11)27(25,26)23-10-12(9-21-23)22-15(24)14-3-1-2-8-20-14/h1-10H,(H,22,24).
What are the key properties of N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 396.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52935189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).