1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine

C17H19BrN2O2S — CID 1202293

IUPAC1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19BrN2O2S/c1-14-7-8-15(18)13-17(14)23(21,22)20-11-9-19(10-12-20)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3
InChIKeyJWZDCGYLIRCGIQ-UHFFFAOYSA-N
MW395.32 g/mol
LogP3.27
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine

1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 1202293) has the molecular formula C17H19BrN2O2S and a molecular weight of 395.32 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine
PubChem CID1202293
Molecular FormulaC17H19BrN2O2S
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19BrN2O2S/c1-14-7-8-15(18)13-17(14)23(21,22)20-11-9-19(10-12-20)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3
InChIKeyJWZDCGYLIRCGIQ-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine (CID 1202293) is 1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine is Cc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is JWZDCGYLIRCGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2S/c1-14-7-8-15(18)13-17(14)23(21,22)20-11-9-19(10-12-20)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine?
1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 395.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 1202293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).