1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine

C21H28N2O3S — CID 112823091

IUPAC1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESCOc1c(C)cc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1C
InChIInChI=1S/C21H28N2O3S/c1-17-15-20(16-18(2)21(17)26-3)27(24,25)23-13-11-22(12-14-23)10-9-19-7-5-4-6-8-19/h4-8,15-16H,9-14H2,1-3H3
InChIKeyCFKOTVZRUDQHPT-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine

1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine (PubChem CID 112823091) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
PubChem CID112823091
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESCOc1c(C)cc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1C
InChIInChI=1S/C21H28N2O3S/c1-17-15-20(16-18(2)21(17)26-3)27(24,25)23-13-11-22(12-14-23)10-9-19-7-5-4-6-8-19/h4-8,15-16H,9-14H2,1-3H3
InChIKeyCFKOTVZRUDQHPT-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
methyl 3-[4-(2-phenylethyl)piperazin-1-yl]sulfonylbenzoate
CID 31770724
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 39627744
4-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]sulfonylbenzoic acid
CID 45314761
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-methoxy-3,5-dimethylphenyl)sulfonylpiperazine
CID 112823037
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 8694199
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 112823078
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
(2-methyl-5-piperidin-1-ylsulfonylphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24554716
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-nitrophenyl)ethyl]piperazine
CID 52673804

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine (CID 112823091) is 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine is COc1c(C)cc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The InChIKey is CFKOTVZRUDQHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-17-15-20(16-18(2)21(17)26-3)27(24,25)23-13-11-22(12-14-23)10-9-19-7-5-4-6-8-19/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine has a molecular weight of 388.53 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 112823091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).