1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine

C18H22N2O3S — CID 775526

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H22N2O3S/c1-15-8-9-17(23-2)18(14-15)24(21,22)20-12-10-19(11-13-20)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyKPGNSFQMOGBEIJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.51
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine

1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 775526) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
PubChem CID775526
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H22N2O3S/c1-15-8-9-17(23-2)18(14-15)24(21,22)20-12-10-19(11-13-20)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyKPGNSFQMOGBEIJ-UHFFFAOYSA-N
XLogP2.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 34117918
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
2-hydroxy-5-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 4742000
[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 8799910
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
1-(2-methoxy-5-nitrophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 51263569
2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780890
1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine
CID 110399025

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine (CID 775526) is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine is COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is KPGNSFQMOGBEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15-8-9-17(23-2)18(14-15)24(21,22)20-12-10-19(11-13-20)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine?
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 346.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 775526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).