1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine

C19H23ClN2O3S — CID 1262223

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-14-4-6-17(15(2)12-14)21-8-10-22(11-9-21)26(23,24)19-13-16(20)5-7-18(19)25-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyDKIJBWSMBRMORX-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.48
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine

1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine (PubChem CID 1262223) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
PubChem CID1262223
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-14-4-6-17(15(2)12-14)21-8-10-22(11-9-21)26(23,24)19-13-16(20)5-7-18(19)25-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyDKIJBWSMBRMORX-UHFFFAOYSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine (CID 1262223) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
The InChIKey is DKIJBWSMBRMORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-4-6-17(15(2)12-14)21-8-10-22(11-9-21)26(23,24)19-13-16(20)5-7-18(19)25-3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine has a molecular weight of 394.92 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine is sourced from PubChem (CID 1262223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).