1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine

C19H22BrFN2O4S — CID 60609489

IUPAC1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc(Br)ccc3F)CC2)c1
InChIInChI=1S/C19H22BrFN2O4S/c1-26-16-4-6-18(27-2)14(11-16)13-22-7-9-23(10-8-22)28(24,25)19-12-15(20)3-5-17(19)21/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyGYNBMGGGMDZEBM-UHFFFAOYSA-N
MW473.36 g/mol
LogP3.11
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine

1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine (PubChem CID 60609489) has the molecular formula C19H22BrFN2O4S and a molecular weight of 473.36 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
PubChem CID60609489
Molecular FormulaC19H22BrFN2O4S
Molecular Weight473.36 g/mol
Exact Mass472.05
IUPAC Name1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc(Br)ccc3F)CC2)c1
InChIInChI=1S/C19H22BrFN2O4S/c1-26-16-4-6-18(27-2)14(11-16)13-22-7-9-23(10-8-22)28(24,25)19-12-15(20)3-5-17(19)21/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyGYNBMGGGMDZEBM-UHFFFAOYSA-N
XLogP3.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 6734604
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 35881835
1-(4-chlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122407
1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 17060489
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 8818419
1-(benzenesulfonyl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17366066
1-(2-chlorophenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 38749302
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
(5-bromo-2-hydroxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 52892945
1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9037096
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 2879260
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 18082801

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine (CID 60609489) is 1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine is COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc(Br)ccc3F)CC2)c1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The InChIKey is GYNBMGGGMDZEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O4S/c1-26-16-4-6-18(27-2)14(11-16)13-22-7-9-23(10-8-22)28(24,25)19-12-15(20)3-5-17(19)21/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine has a molecular weight of 473.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 60609489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).