1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine

C17H20N2O3S — CID 756017

IUPAC1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-22-16-7-9-17(10-8-16)23(20,21)19-13-11-18(12-14-19)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyCTPFLZPAXMVZSB-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine

1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 756017) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine
PubChem CID756017
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-22-16-7-9-17(10-8-16)23(20,21)19-13-11-18(12-14-19)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyCTPFLZPAXMVZSB-UHFFFAOYSA-N
XLogP2.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine (CID 756017) is 1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine is COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is CTPFLZPAXMVZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-22-16-7-9-17(10-8-16)23(20,21)19-13-11-18(12-14-19)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine?
1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 332.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 756017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).