2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

C18H18BrFN2O3S2 — CID 4816176

IUPAC2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CSc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H18BrFN2O3S2/c19-14-5-7-15(8-6-14)26-13-18(23)21-9-11-22(12-10-21)27(24,25)17-4-2-1-3-16(17)20/h1-8H,9-13H2
InChIKeyKOPIXLPJLMLNLY-UHFFFAOYSA-N
MW473.39 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 4816176) has the molecular formula C18H18BrFN2O3S2 and a molecular weight of 473.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID4816176
Molecular FormulaC18H18BrFN2O3S2
Molecular Weight473.39 g/mol
Exact Mass471.99
IUPAC Name2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CSc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H18BrFN2O3S2/c19-14-5-7-15(8-6-14)26-13-18(23)21-9-11-22(12-10-21)27(24,25)17-4-2-1-3-16(17)20/h1-8H,9-13H2
InChIKeyKOPIXLPJLMLNLY-UHFFFAOYSA-N
XLogP3.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 26756892
2-(4-bromophenyl)sulfanyl-1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 16564463
4-(4-bromophenoxy)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 4812341
3-(2-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55704449
1-(4-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 2128103
methyl 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetate
CID 18201955
N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 41275014
2-[2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 154760076
4-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carbonitrile
CID 24652101
2-(4-bromophenyl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 39075000
(E)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 8925260
2-(4-chlorophenyl)sulfanyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 18164606

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 4816176) is 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is O=C(CSc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is KOPIXLPJLMLNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3S2/c19-14-5-7-15(8-6-14)26-13-18(23)21-9-11-22(12-10-21)27(24,25)17-4-2-1-3-16(17)20/h1-8H,9-13H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 473.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 4816176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).