1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine

C19H23ClN2O2S — CID 2137811

IUPAC1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C19H23ClN2O2S/c1-14-4-7-19(16(3)12-14)25(23,24)22-10-8-21(9-11-22)17-6-5-15(2)18(20)13-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyDXQFDPDWMQRGIX-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.78
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine

1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine (PubChem CID 2137811) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
PubChem CID2137811
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C19H23ClN2O2S/c1-14-4-7-19(16(3)12-14)25(23,24)22-10-8-21(9-11-22)17-6-5-15(2)18(20)13-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyDXQFDPDWMQRGIX-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-(3,4-dichlorophenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 991799
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110363952
1-(1,3-benzodioxol-5-yl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 113079658
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
CID 3456966
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 56806267
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine (CID 2137811) is 1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(C)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
The InChIKey is DXQFDPDWMQRGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-14-4-7-19(16(3)12-14)25(23,24)22-10-8-21(9-11-22)17-6-5-15(2)18(20)13-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine 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-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2137811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).