1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine

C21H28N2O2S — CID 113076142

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(C)C)CC2)cc1C
InChIInChI=1S/C21H28N2O2S/c1-16(2)20-7-5-6-8-21(20)22-11-13-23(14-12-22)26(24,25)19-10-9-17(3)18(4)15-19/h5-10,15-16H,11-14H2,1-4H3
InChIKeyRQOOMWAFTRGLJE-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.94
Rot. Bonds4

About 1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine

1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine (PubChem CID 113076142) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
PubChem CID113076142
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(C)C)CC2)cc1C
InChIInChI=1S/C21H28N2O2S/c1-16(2)20-7-5-6-8-21(20)22-11-13-23(14-12-22)26(24,25)19-10-9-17(3)18(4)15-19/h5-10,15-16H,11-14H2,1-4H3
InChIKeyRQOOMWAFTRGLJE-UHFFFAOYSA-N
XLogP3.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine
CID 113076137
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076150
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 26947991
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-benzhydryl-4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium
CID 4558812
6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide
CID 2122276
1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168512938

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine (CID 113076142) is 1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(C)C)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine?
The InChIKey is RQOOMWAFTRGLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-16(2)20-7-5-6-8-21(20)22-11-13-23(14-12-22)26(24,25)19-10-9-17(3)18(4)15-19/h5-10,15-16H,11-14H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine?
1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine has a molecular weight of 372.53 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 113076142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).