1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine

C10H11BrCl2N2O2S — CID 3862176

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCNCC1
InChIInChI=1S/C10H11BrCl2N2O2S/c11-7-5-8(12)10(9(13)6-7)18(16,17)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKeyYEOHRRUXVXSYRN-UHFFFAOYSA-N
MW374.09 g/mol
LogP2.35
Rot. Bonds2

About 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine

1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine (PubChem CID 3862176) has the molecular formula C10H11BrCl2N2O2S and a molecular weight of 374.09 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine
PubChem CID3862176
Molecular FormulaC10H11BrCl2N2O2S
Molecular Weight374.09 g/mol
Exact Mass371.91
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCNCC1
InChIInChI=1S/C10H11BrCl2N2O2S/c11-7-5-8(12)10(9(13)6-7)18(16,17)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKeyYEOHRRUXVXSYRN-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.09
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine (CID 3862176) is 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine is O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCNCC1.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine?
The InChIKey is YEOHRRUXVXSYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2N2O2S/c11-7-5-8(12)10(9(13)6-7)18(16,17)15-3-1-14-2-4-15/h5-6,14H,1-4H2.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine?
1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine has a molecular weight of 374.09 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 3862176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).