1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine

C18H22N2O4S — CID 1106576

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O4S/c1-23-16-8-9-17(24-2)18(14-16)25(21,22)20-12-10-19(11-13-20)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyKGHFXHUZJZACIC-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.21
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine

1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 1106576) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine
PubChem CID1106576
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O4S/c1-23-16-8-9-17(24-2)18(14-16)25(21,22)20-12-10-19(11-13-20)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyKGHFXHUZJZACIC-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine (CID 1106576) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is KGHFXHUZJZACIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-23-16-8-9-17(24-2)18(14-16)25(21,22)20-12-10-19(11-13-20)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 362.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 1106576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).