1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine

C16H16BrFN2O4S2 — CID 46799835

IUPAC1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H16BrFN2O4S2/c17-13-4-3-5-14(12-13)25(21,22)19-8-10-20(11-9-19)26(23,24)16-7-2-1-6-15(16)18/h1-7,12H,8-11H2
InChIKeyBMWKISOVFFEOJH-UHFFFAOYSA-N
MW463.35 g/mol
LogP2.28
Rot. Bonds4

About 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine

1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine (PubChem CID 46799835) has the molecular formula C16H16BrFN2O4S2 and a molecular weight of 463.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
PubChem CID46799835
Molecular FormulaC16H16BrFN2O4S2
Molecular Weight463.35 g/mol
Exact Mass461.97
IUPAC Name1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H16BrFN2O4S2/c17-13-4-3-5-14(12-13)25(21,22)19-8-10-20(11-9-19)26(23,24)16-7-2-1-6-15(16)18/h1-7,12H,8-11H2
InChIKeyBMWKISOVFFEOJH-UHFFFAOYSA-N
XLogP2.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine 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-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 2128103
1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine
CID 26947059
1-(3-bromophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845024
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 26559299
1-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 2663775
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297
1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 116528265
1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
CID 63421307
4-(3-bromophenyl)sulfonyl-1,4-diazepan-2-one
CID 62896700
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-phenylacetonitrile
CID 112799273
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 60641755

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine (CID 46799835) is 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
The InChIKey is BMWKISOVFFEOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O4S2/c17-13-4-3-5-14(12-13)25(21,22)19-8-10-20(11-9-19)26(23,24)16-7-2-1-6-15(16)18/h1-7,12H,8-11H2.
What are the key properties of 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine has a molecular weight of 463.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 46799835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).