1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine

C16H16BrClN2O2S — CID 21204434

IUPAC1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1Br)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H16BrClN2O2S/c17-15-12-13(18)6-7-16(15)23(21,22)20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeyCWXQPVDGNLNGNR-UHFFFAOYSA-N
MW415.74 g/mol
LogP3.61
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine

1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine (PubChem CID 21204434) has the molecular formula C16H16BrClN2O2S and a molecular weight of 415.74 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine
PubChem CID21204434
Molecular FormulaC16H16BrClN2O2S
Molecular Weight415.74 g/mol
Exact Mass413.98
IUPAC Name1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1Br)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H16BrClN2O2S/c17-15-12-13(18)6-7-16(15)23(21,22)20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeyCWXQPVDGNLNGNR-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.74
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine (CID 21204434) is 1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine is O=S(=O)(c1ccc(Cl)cc1Br)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is CWXQPVDGNLNGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O2S/c17-15-12-13(18)6-7-16(15)23(21,22)20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-7,12H,8-11H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine?
1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 415.74 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 21204434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).