1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine

C16H15BrCl2N2O3S — CID 59260730

IUPAC1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cc(Br)ccc1Oc1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H15BrCl2N2O3S/c17-11-1-2-15(24-14-9-12(18)8-13(19)10-14)16(7-11)25(22,23)21-5-3-20-4-6-21/h1-2,7-10,20H,3-6H2
InChIKeySPLFTRDCGYWULR-UHFFFAOYSA-N
MW466.18 g/mol
LogP4.14
Rot. Bonds4

About 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine

1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine (PubChem CID 59260730) has the molecular formula C16H15BrCl2N2O3S and a molecular weight of 466.18 g/mol. Its IUPAC name is 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine
PubChem CID59260730
Molecular FormulaC16H15BrCl2N2O3S
Molecular Weight466.18 g/mol
Exact Mass463.94
IUPAC Name1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cc(Br)ccc1Oc1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H15BrCl2N2O3S/c17-11-1-2-15(24-14-9-12(18)8-13(19)10-14)16(7-11)25(22,23)21-5-3-20-4-6-21/h1-2,7-10,20H,3-6H2
InChIKeySPLFTRDCGYWULR-UHFFFAOYSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.18
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 59260923
2-chloro-4-(3,5-dichlorophenoxy)-5-piperazin-1-ylsulfonylbenzoate
CID 59260924
1-[2-(3,5-dimethylphenoxy)-5-iodophenyl]sulfonylpiperazine
CID 59260774
1-[4-[2-(3,5-dichlorophenoxy)-5-methylphenyl]sulfonylpiperazin-1-yl]ethanone
CID 90740064
tert-butyl 4-[5-cyano-2-(3,5-dichlorophenoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylate;3-(1,4-diazepan-1-ylsulfonyl)-4-(3,5-dichlorophenoxy)benzonitrile;hydrochloride
CID 158770344
1-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260765
4-(2,5-dichlorophenoxy)-3-piperazin-1-ylsulfonylbenzonitrile;dihydrochloride
CID 142764853
5-bromo-2-piperazin-1-ylsulfonylbenzonitrile
CID 164863865
4-(3,5-dimethylphenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 67547734
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961646
1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperazine
CID 65450331
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpiperazine
CID 65449942

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine (CID 59260730) is 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine is O=S(=O)(c1cc(Br)ccc1Oc1cc(Cl)cc(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine?
The InChIKey is SPLFTRDCGYWULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O3S/c17-11-1-2-15(24-14-9-12(18)8-13(19)10-14)16(7-11)25(22,23)21-5-3-20-4-6-21/h1-2,7-10,20H,3-6H2.
What are the key properties of 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine?
1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine has a molecular weight of 466.18 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 59260730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).