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

C15H11Cl2N3O2S — CID 2236904

IUPAC4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3O2S/c16-11-3-1-10(2-4-11)14-9-20(19-15(14)18)23(21,22)13-7-5-12(17)6-8-13/h1-9H,(H2,18,19)
InChIKeyRIYPDXUHWCCZJT-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.68
Rot. Bonds3

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

4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine (PubChem CID 2236904) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine
PubChem CID2236904
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3O2S/c16-11-3-1-10(2-4-11)14-9-20(19-15(14)18)23(21,22)13-7-5-12(17)6-8-13/h1-9H,(H2,18,19)
InChIKeyRIYPDXUHWCCZJT-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 4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine (CID 2236904) is 4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine is Nc1nn(S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine?
The InChIKey is RIYPDXUHWCCZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c16-11-3-1-10(2-4-11)14-9-20(19-15(14)18)23(21,22)13-7-5-12(17)6-8-13/h1-9H,(H2,18,19).
What are the key properties of 4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine?
4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-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 4-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 2236904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).