4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one

C19H21ClN2O3S — CID 46036625

IUPAC4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C(C)C2=O)cc1C
InChIInChI=1S/C19H21ClN2O3S/c1-13-4-7-17(12-14(13)2)21-10-11-22(15(3)19(21)23)26(24,25)18-8-5-16(20)6-9-18/h4-9,12,15H,10-11H2,1-3H3
InChIKeyQMOPSLSRDJOXQW-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.38
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one

4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one (PubChem CID 46036625) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
PubChem CID46036625
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C(C)C2=O)cc1C
InChIInChI=1S/C19H21ClN2O3S/c1-13-4-7-17(12-14(13)2)21-10-11-22(15(3)19(21)23)26(24,25)18-8-5-16(20)6-9-18/h4-9,12,15H,10-11H2,1-3H3
InChIKeyQMOPSLSRDJOXQW-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one (CID 46036625) is 4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one is Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C(C)C2=O)cc1C.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one?
The InChIKey is QMOPSLSRDJOXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13-4-7-17(12-14(13)2)21-10-11-22(15(3)19(21)23)26(24,25)18-8-5-16(20)6-9-18/h4-9,12,15H,10-11H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one?
4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one has a molecular weight of 392.91 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).