1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine

C19H24N2O3S — CID 1122338

IUPAC1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
SMILESCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H24N2O3S/c1-16-7-9-18(10-8-16)25(22,23)21-13-11-20(12-14-21)15-17-5-3-4-6-19(17)24-2/h3-10H,11-15H2,1-2H3
InChIKeyZOUWTNYHBCMORR-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.51
Rot. Bonds5

About 1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine

1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 1122338) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID1122338
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
SMILESCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H24N2O3S/c1-16-7-9-18(10-8-16)25(22,23)21-13-11-20(12-14-21)15-17-5-3-4-6-19(17)24-2/h3-10H,11-15H2,1-2H3
InChIKeyZOUWTNYHBCMORR-UHFFFAOYSA-N
XLogP2.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine (CID 1122338) is 1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine is COc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is ZOUWTNYHBCMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-16-7-9-18(10-8-16)25(22,23)21-13-11-20(12-14-21)15-17-5-3-4-6-19(17)24-2/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine?
1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 360.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 1122338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).