1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine

C19H24N2O2S — CID 785540

IUPAC1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15-5-8-18(9-6-15)24(22,23)21-12-10-20(11-13-21)19-14-16(2)4-7-17(19)3/h4-9,14H,10-13H2,1-3H3
InChIKeyVTAHDAQJLXCSOO-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.12
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine

1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 785540) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID785540
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15-5-8-18(9-6-15)24(22,23)21-12-10-20(11-13-21)19-14-16(2)4-7-17(19)3/h4-9,14H,10-13H2,1-3H3
InChIKeyVTAHDAQJLXCSOO-UHFFFAOYSA-N
XLogP3.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 2192290
1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 59563961
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-(2,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 650477
1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
CID 20914787
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-(2,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 5006087
7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20876188
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3714109
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113075483
1-(2,5-dimethylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 5034124

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 785540) is 1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is VTAHDAQJLXCSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-5-8-18(9-6-15)24(22,23)21-12-10-20(11-13-21)19-14-16(2)4-7-17(19)3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 344.48 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 785540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).