1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C17H17BrF3N3O3S — CID 26943244

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H17BrF3N3O3S/c1-27-14-4-3-13(18)10-15(14)28(25,26)24-8-6-23(7-9-24)16-5-2-12(11-22-16)17(19,20)21/h2-5,10-11H,6-9H2,1H3
InChIKeyDMYJAAAJARHJRD-UHFFFAOYSA-N
MW480.31 g/mol
LogP3.38
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 26943244) has the molecular formula C17H17BrF3N3O3S and a molecular weight of 480.31 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID26943244
Molecular FormulaC17H17BrF3N3O3S
Molecular Weight480.31 g/mol
Exact Mass479.01
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H17BrF3N3O3S/c1-27-14-4-3-13(18)10-15(14)28(25,26)24-8-6-23(7-9-24)16-5-2-12(11-22-16)17(19,20)21/h2-5,10-11H,6-9H2,1H3
InChIKeyDMYJAAAJARHJRD-UHFFFAOYSA-N
XLogP3.38
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 9111459
1-(3,4-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24506533
1-(4-ethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 29347792
1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922390
4-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzenesulfonamide
CID 27810010
1-(5-bromo-2-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 16645322
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1484987
methyl 3-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]sulfonyl]benzoate
CID 31766947
7-[4-(5-bromo-2-methoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47090522
1-(azepan-1-ylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24592288
1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 166605221
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 26943244) is 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is DMYJAAAJARHJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF3N3O3S/c1-27-14-4-3-13(18)10-15(14)28(25,26)24-8-6-23(7-9-24)16-5-2-12(11-22-16)17(19,20)21/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 480.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 26943244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).