1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine

C20H26N2O3S — CID 1288554

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N2O3S/c1-16(2)17-9-10-19(25-3)20(15-17)26(23,24)22-13-11-21(12-14-22)18-7-5-4-6-8-18/h4-10,15-16H,11-14H2,1-3H3
InChIKeyVYHJMXIIIUENJH-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.33
Rot. Bonds5

About 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine

1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 1288554) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine
PubChem CID1288554
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N2O3S/c1-16(2)17-9-10-19(25-3)20(15-17)26(23,24)22-13-11-21(12-14-22)18-7-5-4-6-8-18/h4-10,15-16H,11-14H2,1-3H3
InChIKeyVYHJMXIIIUENJH-UHFFFAOYSA-N
XLogP3.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine (CID 1288554) is 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine is COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is VYHJMXIIIUENJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16(2)17-9-10-19(25-3)20(15-17)26(23,24)22-13-11-21(12-14-22)18-7-5-4-6-8-18/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine?
1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 374.51 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 1288554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).