1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine

C19H24N2O4S — CID 1242019

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-15-4-9-18(25-3)19(14-15)26(22,23)21-12-10-20(11-13-21)16-5-7-17(24-2)8-6-16/h4-9,14H,10-13H2,1-3H3
InChIKeyGVPWRHSLVZZGMQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.52
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine

1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (PubChem CID 1242019) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
PubChem CID1242019
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-15-4-9-18(25-3)19(14-15)26(22,23)21-12-10-20(11-13-21)16-5-7-17(24-2)8-6-16/h4-9,14H,10-13H2,1-3H3
InChIKeyGVPWRHSLVZZGMQ-UHFFFAOYSA-N
XLogP2.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (CID 1242019) is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The InChIKey is GVPWRHSLVZZGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-4-9-18(25-3)19(14-15)26(22,23)21-12-10-20(11-13-21)16-5-7-17(24-2)8-6-16/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine has a molecular weight of 376.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 1242019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).