1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine

C19H23ClN2O2S — CID 19132655

IUPAC1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCc1cc(C)c(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C19H23ClN2O2S/c1-14-11-15(2)19(16(3)12-14)21-7-9-22(10-8-21)25(23,24)18-6-4-5-17(20)13-18/h4-6,11-13H,7-10H2,1-3H3
InChIKeyGPOCPOMHODSFCV-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.78
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine

1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine (PubChem CID 19132655) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
PubChem CID19132655
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCc1cc(C)c(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C19H23ClN2O2S/c1-14-11-15(2)19(16(3)12-14)21-7-9-22(10-8-21)25(23,24)18-6-4-5-17(20)13-18/h4-6,11-13H,7-10H2,1-3H3
InChIKeyGPOCPOMHODSFCV-UHFFFAOYSA-N
XLogP3.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778
1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
CID 113076262
1-(2,6-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3701613
3-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3376682
1-(3,5-dichloro-4-pyridinyl)-4-(3-methylphenyl)sulfonyl-1,4-diazepane
CID 24852723
1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine
CID 92770848
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 91670238
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50946303
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 44894672
1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride
CID 163331804
1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine
CID 51170108

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine (CID 19132655) is 1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine is Cc1cc(C)c(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(C)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The InChIKey is GPOCPOMHODSFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-14-11-15(2)19(16(3)12-14)21-7-9-22(10-8-21)25(23,24)18-6-4-5-17(20)13-18/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine has a molecular weight of 378.93 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine is sourced from PubChem (CID 19132655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).