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

C20H26N2O2S — CID 2114453

IUPAC1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c1
InChIInChI=1S/C20H26N2O2S/c1-15-8-9-20(17(3)14-15)25(23,24)22-12-10-21(11-13-22)19-7-5-6-16(2)18(19)4/h5-9,14H,10-13H2,1-4H3
InChIKeyVTSJWZGKBCAHTR-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.43
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine (PubChem CID 2114453) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
PubChem CID2114453
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c1
InChIInChI=1S/C20H26N2O2S/c1-15-8-9-20(17(3)14-15)25(23,24)22-12-10-21(11-13-22)19-7-5-6-16(2)18(19)4/h5-9,14H,10-13H2,1-4H3
InChIKeyVTSJWZGKBCAHTR-UHFFFAOYSA-N
XLogP3.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
CID 91670016
1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 6469213
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3520156
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 16644832
1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine (CID 2114453) is 1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
The InChIKey is VTSJWZGKBCAHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-8-9-20(17(3)14-15)25(23,24)22-12-10-21(11-13-22)19-7-5-6-16(2)18(19)4/h5-9,14H,10-13H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine has a molecular weight of 358.51 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2114453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).