1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine

C18H21ClN2O4S2 — CID 26945221

IUPAC1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H21ClN2O4S2/c1-14-7-8-15(2)18(13-14)27(24,25)21-11-9-20(10-12-21)26(22,23)17-6-4-3-5-16(17)19/h3-8,13H,9-12H2,1-2H3
InChIKeyGLMMUDAOYWKJSP-UHFFFAOYSA-N
MW428.96 g/mol
LogP2.65
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine

1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 26945221) has the molecular formula C18H21ClN2O4S2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
PubChem CID26945221
Molecular FormulaC18H21ClN2O4S2
Molecular Weight428.96 g/mol
Exact Mass428.06
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H21ClN2O4S2/c1-14-7-8-15(2)18(13-14)27(24,25)21-11-9-20(10-12-21)26(22,23)17-6-4-3-5-16(17)19/h3-8,13H,9-12H2,1-2H3
InChIKeyGLMMUDAOYWKJSP-UHFFFAOYSA-N
XLogP2.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 26945213
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684812
1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine
CID 39622444
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
7-(2-chlorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-1,4-thiazepane
CID 90629925
methyl 4-chloro-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate
CID 30872303
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 27799663
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 4678794
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine (CID 26945221) is 1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine is Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is GLMMUDAOYWKJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S2/c1-14-7-8-15(2)18(13-14)27(24,25)21-11-9-20(10-12-21)26(22,23)17-6-4-3-5-16(17)19/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 428.96 g/mol, XLogP of 2.65, 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-(2,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 26945221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).