1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine

C14H14BrFN2O2S2 — CID 2018945

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H14BrFN2O2S2/c15-13-5-6-14(21-13)22(19,20)18-9-7-17(8-10-18)12-3-1-11(16)2-4-12/h1-6H,7-10H2
InChIKeyWPDLIASRMMKYBJ-UHFFFAOYSA-N
MW405.31 g/mol
LogP3.16
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine

1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 2018945) has the molecular formula C14H14BrFN2O2S2 and a molecular weight of 405.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID2018945
Molecular FormulaC14H14BrFN2O2S2
Molecular Weight405.31 g/mol
Exact Mass403.97
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H14BrFN2O2S2/c15-13-5-6-14(21-13)22(19,20)18-9-7-17(8-10-18)12-3-1-11(16)2-4-12/h1-6H,7-10H2
InChIKeyWPDLIASRMMKYBJ-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]benzonitrile
CID 55703300
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
1-(5-bromothiophen-2-yl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazine
CID 3366921
1-(5-bromothiophen-2-yl)sulfonyl-4-(3-methyl-4-nitrophenyl)piperazine
CID 52673640
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 29354188
1-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335073
4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355490
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
ethyl 5-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950073
1-(5-bromothiophen-2-yl)sulfonyl-4-(3-chloro-4-pyridinyl)piperazine
CID 133351705
1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine
CID 142132865

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine (CID 2018945) is 1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine is O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is WPDLIASRMMKYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S2/c15-13-5-6-14(21-13)22(19,20)18-9-7-17(8-10-18)12-3-1-11(16)2-4-12/h1-6H,7-10H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 405.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 2018945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).