4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine

C15H11F2N3O2S — CID 2992359

IUPAC4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccc(F)cc2)cc1-c1cccc(F)c1
InChIInChI=1S/C15H11F2N3O2S/c16-11-4-6-13(7-5-11)23(21,22)20-9-14(15(18)19-20)10-2-1-3-12(17)8-10/h1-9H,(H2,18,19)
InChIKeyROXTVWZFOLFMTA-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.65
Rot. Bonds3

About 4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine

4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine (PubChem CID 2992359) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine
PubChem CID2992359
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccc(F)cc2)cc1-c1cccc(F)c1
InChIInChI=1S/C15H11F2N3O2S/c16-11-4-6-13(7-5-11)23(21,22)20-9-14(15(18)19-20)10-2-1-3-12(17)8-10/h1-9H,(H2,18,19)
InChIKeyROXTVWZFOLFMTA-UHFFFAOYSA-N
XLogP2.65
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine (CID 2992359) is 4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine is Nc1nn(S(=O)(=O)c2ccc(F)cc2)cc1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine?
The InChIKey is ROXTVWZFOLFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c16-11-4-6-13(7-5-11)23(21,22)20-9-14(15(18)19-20)10-2-1-3-12(17)8-10/h1-9H,(H2,18,19).
What are the key properties of 4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine?
4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine has a molecular weight of 335.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 2992359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).