1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine

C19H24N2O3S — CID 113075257

IUPAC1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-15-6-4-5-7-18(15)20-10-12-21(13-11-20)25(22,23)19-9-8-17(24-3)14-16(19)2/h4-9,14H,10-13H2,1-3H3
InChIKeyJFBHRPIBFBYEJA-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.82
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine

1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine (PubChem CID 113075257) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
PubChem CID113075257
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-15-6-4-5-7-18(15)20-10-12-21(13-11-20)25(22,23)19-9-8-17(24-3)14-16(19)2/h4-9,14H,10-13H2,1-3H3
InChIKeyJFBHRPIBFBYEJA-UHFFFAOYSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076150
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077949
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110818820
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113080661
2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110404258
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine (CID 113075257) is 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine is COc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine?
The InChIKey is JFBHRPIBFBYEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-6-4-5-7-18(15)20-10-12-21(13-11-20)25(22,23)19-9-8-17(24-3)14-16(19)2/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine?
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine has a molecular weight of 360.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 113075257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).