1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine

C19H23ClN2O2S — CID 18891441

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1C
InChIInChI=1S/C19H23ClN2O2S/c1-15-4-3-5-19(16(15)2)21-10-12-22(13-11-21)25(23,24)14-17-6-8-18(20)9-7-17/h3-9H,10-14H2,1-2H3
InChIKeyLIQOGDKRFGAJIN-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.61
Rot. Bonds4

About 1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine

1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 18891441) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID18891441
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1C
InChIInChI=1S/C19H23ClN2O2S/c1-15-4-3-5-19(16(15)2)21-10-12-22(13-11-21)25(23,24)14-17-6-8-18(20)9-7-17/h3-9H,10-14H2,1-2H3
InChIKeyLIQOGDKRFGAJIN-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine (CID 18891441) is 1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1C.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is LIQOGDKRFGAJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-15-4-3-5-19(16(15)2)21-10-12-22(13-11-21)25(23,24)14-17-6-8-18(20)9-7-17/h3-9H,10-14H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine?
1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 378.93 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 18891441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).