1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine

C17H18Cl2N2O4S2 — CID 32676595

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O4S2/c1-13-6-7-17(15(19)12-13)27(24,25)21-10-8-20(9-11-21)26(22,23)16-5-3-2-4-14(16)18/h2-7,12H,8-11H2,1H3
InChIKeyJEJPPKRKDVFJHQ-UHFFFAOYSA-N
MW449.38 g/mol
LogP3.00
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine

1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine (PubChem CID 32676595) has the molecular formula C17H18Cl2N2O4S2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
PubChem CID32676595
Molecular FormulaC17H18Cl2N2O4S2
Molecular Weight449.38 g/mol
Exact Mass448.01
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O4S2/c1-13-6-7-17(15(19)12-13)27(24,25)21-10-8-20(9-11-21)26(22,23)16-5-3-2-4-14(16)18/h2-7,12H,8-11H2,1H3
InChIKeyJEJPPKRKDVFJHQ-UHFFFAOYSA-N
XLogP3.00
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 53.00
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-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 26945213
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 55530053
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 27799663
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
2-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 32677650
methyl 1-(2-chloro-4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 32674219
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 32680976
5-(2-chloro-4-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212787
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 51339666
1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine
CID 39622444

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine (CID 32676595) is 1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine?
The InChIKey is JEJPPKRKDVFJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S2/c1-13-6-7-17(15(19)12-13)27(24,25)21-10-8-20(9-11-21)26(22,23)16-5-3-2-4-14(16)18/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine?
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine has a molecular weight of 449.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 32676595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).