1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine

C18H22N2O3S — CID 113077373

IUPAC1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C18H22N2O3S/c1-15-6-3-4-9-18(15)24(21,22)20-12-10-19(11-13-20)16-7-5-8-17(14-16)23-2/h3-9,14H,10-13H2,1-2H3
InChIKeyFHKPCJKLSUWBEC-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.51
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine

1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine (PubChem CID 113077373) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
PubChem CID113077373
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C18H22N2O3S/c1-15-6-3-4-9-18(15)24(21,22)20-12-10-19(11-13-20)16-7-5-8-17(14-16)23-2/h3-9,14H,10-13H2,1-2H3
InChIKeyFHKPCJKLSUWBEC-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-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077949
N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
CID 55365640
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
methyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 53069031
1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077498
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one
CID 53161861
1-(3-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 7765612
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113080661

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine (CID 113077373) is 1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine is COc1cccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The InChIKey is FHKPCJKLSUWBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15-6-3-4-9-18(15)24(21,22)20-12-10-19(11-13-20)16-7-5-8-17(14-16)23-2/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine 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-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113077373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).