4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine

C15H7ClF5N3O2S — CID 2234371

IUPAC4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H7ClF5N3O2S/c16-7-3-1-6(2-4-7)8-5-24(23-15(8)22)27(25,26)14-12(20)10(18)9(17)11(19)13(14)21/h1-5H,(H2,22,23)
InChIKeyLRMYKCNRORSKPQ-UHFFFAOYSA-N
MW423.75 g/mol
LogP3.72
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine

4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine (PubChem CID 2234371) has the molecular formula C15H7ClF5N3O2S and a molecular weight of 423.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine
PubChem CID2234371
Molecular FormulaC15H7ClF5N3O2S
Molecular Weight423.75 g/mol
Exact Mass422.99
IUPAC Name4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H7ClF5N3O2S/c16-7-3-1-6(2-4-7)8-5-24(23-15(8)22)27(25,26)14-12(20)10(18)9(17)11(19)13(14)21/h1-5H,(H2,22,23)
InChIKeyLRMYKCNRORSKPQ-UHFFFAOYSA-N
XLogP3.72
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.75
LogP ≤ 53.72
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 4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine (CID 2234371) is 4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine is Nc1nn(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine?
The InChIKey is LRMYKCNRORSKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF5N3O2S/c16-7-3-1-6(2-4-7)8-5-24(23-15(8)22)27(25,26)14-12(20)10(18)9(17)11(19)13(14)21/h1-5H,(H2,22,23).
What are the key properties of 4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine?
4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine has a molecular weight of 423.75 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 2234371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).