1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine

C10H12BrF3N2O3S — CID 136530775

IUPAC1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(c1ccc(Br)o1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H12BrF3N2O3S/c11-8-1-2-9(19-8)20(17,18)16-5-3-15(4-6-16)7-10(12,13)14/h1-2H,3-7H2
InChIKeyZIDVEHGBKBGCAV-UHFFFAOYSA-N
MW377.18 g/mol
LogP1.91
Rot. Bonds3

About 1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine

1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 136530775) has the molecular formula C10H12BrF3N2O3S and a molecular weight of 377.18 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID136530775
Molecular FormulaC10H12BrF3N2O3S
Molecular Weight377.18 g/mol
Exact Mass375.97
IUPAC Name1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(c1ccc(Br)o1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H12BrF3N2O3S/c11-8-1-2-9(19-8)20(17,18)16-5-3-15(4-6-16)7-10(12,13)14/h1-2H,3-7H2
InChIKeyZIDVEHGBKBGCAV-UHFFFAOYSA-N
XLogP1.91
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708380
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylaniline
CID 61114608
1-[(2-chloro-3-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 61051712
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 103299442
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 51294854
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 60746134
1-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 52542822
1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120778987
N-[(5-bromofuran-2-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856141
1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 67513524
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanone
CID 112826190
2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 53175550

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine (CID 136530775) is 1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine is O=S(=O)(c1ccc(Br)o1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is ZIDVEHGBKBGCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2O3S/c11-8-1-2-9(19-8)20(17,18)16-5-3-15(4-6-16)7-10(12,13)14/h1-2H,3-7H2.
What are the key properties of 1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 377.18 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 136530775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).