3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine

C15H11Cl2N3O2S — CID 6619811

IUPAC3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3O2S/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)23(21,22)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeyFGOXQMPYHNKRJI-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.68
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine

3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine (PubChem CID 6619811) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine
PubChem CID6619811
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3O2S/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)23(21,22)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeyFGOXQMPYHNKRJI-UHFFFAOYSA-N
XLogP3.68
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine (CID 6619811) is 3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine is Nc1cc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine?
The InChIKey is FGOXQMPYHNKRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)23(21,22)13-7-5-12(17)6-8-13/h1-9H,18H2.
What are the key properties of 3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine?
3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine has a molecular weight of 368.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-5-amine is sourced from PubChem (CID 6619811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).