1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine

C15H8F5N3O2S — CID 16654628

IUPAC1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H8F5N3O2S/c16-10-11(17)13(19)15(14(20)12(10)18)26(24,25)23-9(21)6-8(22-23)7-4-2-1-3-5-7/h1-6H,21H2
InChIKeyRRJFLYVIYFMOTE-UHFFFAOYSA-N
MW389.31 g/mol
LogP3.06
Rot. Bonds3

About 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine

1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine (PubChem CID 16654628) has the molecular formula C15H8F5N3O2S and a molecular weight of 389.31 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine
PubChem CID16654628
Molecular FormulaC15H8F5N3O2S
Molecular Weight389.31 g/mol
Exact Mass389.03
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H8F5N3O2S/c16-10-11(17)13(19)15(14(20)12(10)18)26(24,25)23-9(21)6-8(22-23)7-4-2-1-3-5-7/h1-6H,21H2
InChIKeyRRJFLYVIYFMOTE-UHFFFAOYSA-N
XLogP3.06
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine (CID 16654628) is 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine is Nc1cc(-c2ccccc2)nn1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine?
The InChIKey is RRJFLYVIYFMOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3O2S/c16-10-11(17)13(19)15(14(20)12(10)18)26(24,25)23-9(21)6-8(22-23)7-4-2-1-3-5-7/h1-6H,21H2.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine?
1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine has a molecular weight of 389.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 16654628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).