1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine

C19H22Cl2N2O2S — CID 22207943

IUPAC1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)c(C)cc1Cl
InChIInChI=1S/C19H22Cl2N2O2S/c1-14-12-19(15(2)11-18(14)21)26(24,25)23-9-7-22(8-10-23)13-16-5-3-4-6-17(16)20/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyFLUGWTZUDGDUFG-UHFFFAOYSA-N
MW413.37 g/mol
LogP4.12
Rot. Bonds4

About 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine

1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine (PubChem CID 22207943) has the molecular formula C19H22Cl2N2O2S and a molecular weight of 413.37 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
PubChem CID22207943
Molecular FormulaC19H22Cl2N2O2S
Molecular Weight413.37 g/mol
Exact Mass412.08
IUPAC Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)c(C)cc1Cl
InChIInChI=1S/C19H22Cl2N2O2S/c1-14-12-19(15(2)11-18(14)21)26(24,25)23-9-7-22(8-10-23)13-16-5-3-4-6-17(16)20/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyFLUGWTZUDGDUFG-UHFFFAOYSA-N
XLogP4.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 22208096
1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
CID 113074122
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587
1-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 9435627
2-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-4,5-dimethylphenol
CID 27076001
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane
CID 39657963
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
5-(4-benzylpiperazin-1-yl)sulfonyl-4-chloro-2-methylaniline
CID 134081763
1-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 157156658
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 22207937
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine (CID 22207943) is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine is Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)c(C)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine?
The InChIKey is FLUGWTZUDGDUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2S/c1-14-12-19(15(2)11-18(14)21)26(24,25)23-9-7-22(8-10-23)13-16-5-3-4-6-17(16)20/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine?
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine has a molecular weight of 413.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 22207943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).