(3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

C19H20ClNO2S — CID 56647539

IUPAC(3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(Cl)cc3)C(C)C2)cc1
InChIInChI=1S/C19H20ClNO2S/c1-14-3-9-19(10-4-14)24(22,23)21-12-15(2)17(13-21)11-16-5-7-18(20)8-6-16/h3-11,15H,12-13H2,1-2H3/b17-11+
InChIKeyGUWJKOJUHAWMSK-GZTJUZNOSA-N
MW361.89 g/mol
LogP4.37
Rot. Bonds3

About (3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

(3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 56647539) has the molecular formula C19H20ClNO2S and a molecular weight of 361.89 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID56647539
Molecular FormulaC19H20ClNO2S
Molecular Weight361.89 g/mol
Exact Mass361.09
IUPAC Name(3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(Cl)cc3)C(C)C2)cc1
InChIInChI=1S/C19H20ClNO2S/c1-14-3-9-19(10-4-14)24(22,23)21-12-15(2)17(13-21)11-16-5-7-18(20)8-6-16/h3-11,15H,12-13H2,1-2H3/b17-11+
InChIKeyGUWJKOJUHAWMSK-GZTJUZNOSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 56647539) is (3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(Cl)cc3)C(C)C2)cc1.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is GUWJKOJUHAWMSK-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H20ClNO2S/c1-14-3-9-19(10-4-14)24(22,23)21-12-15(2)17(13-21)11-16-5-7-18(20)8-6-16/h3-11,15H,12-13H2,1-2H3/b17-11+.
What are the key properties of (3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
(3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 361.89 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)methylidene]-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 56647539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).