1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine

C18H21ClN2O2S — CID 32680669

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(C)cc3Cl)CC2)c1
InChIInChI=1S/C18H21ClN2O2S/c1-14-4-3-5-16(12-14)20-8-10-21(11-9-20)24(22,23)18-7-6-15(2)13-17(18)19/h3-7,12-13H,8-11H2,1-2H3
InChIKeyPZQWUKIONLRYQB-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine

1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine (PubChem CID 32680669) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
PubChem CID32680669
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(C)cc3Cl)CC2)c1
InChIInChI=1S/C18H21ClN2O2S/c1-14-4-3-5-16(12-14)20-8-10-21(11-9-20)24(22,23)18-7-6-15(2)13-17(18)19/h3-7,12-13H,8-11H2,1-2H3
InChIKeyPZQWUKIONLRYQB-UHFFFAOYSA-N
XLogP3.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
2,4-dichloro-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenol
CID 3598660
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811
1-(3,4-dichlorophenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 991799
1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione
CID 27305949
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110705779
1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 55530053
methyl 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoate
CID 51263564
3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076897
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 112823078

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine (CID 32680669) is 1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C)cc3Cl)CC2)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine?
The InChIKey is PZQWUKIONLRYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-14-4-3-5-16(12-14)20-8-10-21(11-9-20)24(22,23)18-7-6-15(2)13-17(18)19/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine?
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine has a molecular weight of 364.90 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine is sourced from PubChem (CID 32680669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).