1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine

C15H16BrFN2O2S2 — CID 24680395

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(Cc2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H16BrFN2O2S2/c16-14-10-13(17)4-3-12(14)11-18-5-7-19(8-6-18)23(20,21)15-2-1-9-22-15/h1-4,9-10H,5-8,11H2
InChIKeyMPPBGVGWMAXXBJ-UHFFFAOYSA-N
MW419.34 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine

1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 24680395) has the molecular formula C15H16BrFN2O2S2 and a molecular weight of 419.34 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID24680395
Molecular FormulaC15H16BrFN2O2S2
Molecular Weight419.34 g/mol
Exact Mass417.98
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(Cc2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H16BrFN2O2S2/c16-14-10-13(17)4-3-12(14)11-18-5-7-19(8-6-18)23(20,21)15-2-1-9-22-15/h1-4,9-10H,5-8,11H2
InChIKeyMPPBGVGWMAXXBJ-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
1-(5-Bromothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine
CID 8684995
5-Methyl-2-{[4-benzylpiperazinyl]sulfonyl}thiophene
CID 2090982
1-[(3-Fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
CID 4768672
1-(4-Fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770625
2-(4-Fluorophenyl)-1-methyl-4-(2-thienylsulfonyl)piperazine
CID 53189156
1-(5-Bromothiophen-2-yl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane
CID 4176331
1-Benzyl-4-((5-bromothiophen-2-yl)sulfonyl)piperazine
CID 1241319
N-[2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 4830137
1-Benzyl-4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepane
CID 16000546
1-Methyl-2-phenyl-4-thiophen-2-ylsulfonylpiperazine
CID 53189140
1-(4-Bromo-2,5-difluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 6734749

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine (CID 24680395) is 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(Cc2ccc(F)cc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is MPPBGVGWMAXXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2S2/c16-14-10-13(17)4-3-12(14)11-18-5-7-19(8-6-18)23(20,21)15-2-1-9-22-15/h1-4,9-10H,5-8,11H2.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 419.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 24680395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).