4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine

C21H19Cl2N3O2S — CID 142656992

IUPAC4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine
SMILESCN1CC(c2ccncc2)C(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2N3O2S/c1-25-14-20(15-10-12-24-13-11-15)21(16-2-4-17(22)5-3-16)26(25)29(27,28)19-8-6-18(23)7-9-19/h2-13,20-21H,14H2,1H3
InChIKeyDXWABRNEYGLSEX-UHFFFAOYSA-N
MW448.38 g/mol
LogP4.76
Rot. Bonds4

About 4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine

4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine (PubChem CID 142656992) has the molecular formula C21H19Cl2N3O2S and a molecular weight of 448.38 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine
PubChem CID142656992
Molecular FormulaC21H19Cl2N3O2S
Molecular Weight448.38 g/mol
Exact Mass447.06
IUPAC Name4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine
SMILESCN1CC(c2ccncc2)C(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2N3O2S/c1-25-14-20(15-10-12-24-13-11-15)21(16-2-4-17(22)5-3-16)26(25)29(27,28)19-8-6-18(23)7-9-19/h2-13,20-21H,14H2,1H3
InChIKeyDXWABRNEYGLSEX-UHFFFAOYSA-N
XLogP4.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine?
The IUPAC name of 4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine (CID 142656992) is 4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine is CN1CC(c2ccncc2)C(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine?
The InChIKey is DXWABRNEYGLSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2S/c1-25-14-20(15-10-12-24-13-11-15)21(16-2-4-17(22)5-3-16)26(25)29(27,28)19-8-6-18(23)7-9-19/h2-13,20-21H,14H2,1H3.
What are the key properties of 4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine?
4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine has a molecular weight of 448.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine is sourced from PubChem (CID 142656992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).