1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine

C19H24N2O3S — CID 1147613

IUPAC1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-5-4-6-19(16(15)2)20-11-13-21(14-12-20)25(22,23)18-9-7-17(24-3)8-10-18/h4-10H,11-14H2,1-3H3
InChIKeyGUFAFXJZVGABEH-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.82
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine

1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 1147613) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID1147613
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-5-4-6-19(16(15)2)20-11-13-21(14-12-20)25(22,23)18-9-7-17(24-3)8-10-18/h4-10H,11-14H2,1-3H3
InChIKeyGUFAFXJZVGABEH-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine (CID 1147613) is 1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is GUFAFXJZVGABEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-5-4-6-19(16(15)2)20-11-13-21(14-12-20)25(22,23)18-9-7-17(24-3)8-10-18/h4-10H,11-14H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine 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-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 1147613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).