1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

C19H23ClN2O4S2 — CID 26945213

IUPAC1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(C)c1
InChIInChI=1S/C19H23ClN2O4S2/c1-14-12-15(2)19(16(3)13-14)28(25,26)22-10-8-21(9-11-22)27(23,24)18-7-5-4-6-17(18)20/h4-7,12-13H,8-11H2,1-3H3
InChIKeyZGYGINIDDGGQSH-UHFFFAOYSA-N
MW442.99 g/mol
LogP2.96
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (PubChem CID 26945213) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
PubChem CID26945213
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(C)c1
InChIInChI=1S/C19H23ClN2O4S2/c1-14-12-15(2)19(16(3)13-14)28(25,26)22-10-8-21(9-11-22)27(23,24)18-7-5-4-6-17(18)20/h4-7,12-13H,8-11H2,1-3H3
InChIKeyZGYGINIDDGGQSH-UHFFFAOYSA-N
XLogP2.96
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile
CID 24678207
1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine
CID 39622444
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
CID 68555914
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 39894799
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 27799663

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (CID 26945213) is 1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(C)c1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The InChIKey is ZGYGINIDDGGQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-14-12-15(2)19(16(3)13-14)28(25,26)22-10-8-21(9-11-22)27(23,24)18-7-5-4-6-17(18)20/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine has a molecular weight of 442.99 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 26945213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).