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

C14H14BrFN2OS2 — CID 142132865

IUPAC1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine
SMILESO=S(c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H14BrFN2OS2/c15-13-5-6-14(20-13)21(19)18-9-7-17(8-10-18)12-3-1-11(16)2-4-12/h1-6H,7-10H2
InChIKeyAZPOJYYAOWYHFC-UHFFFAOYSA-N
MW389.32 g/mol
LogP3.49
Rot. Bonds3

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

1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine (PubChem CID 142132865) has the molecular formula C14H14BrFN2OS2 and a molecular weight of 389.32 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine
PubChem CID142132865
Molecular FormulaC14H14BrFN2OS2
Molecular Weight389.32 g/mol
Exact Mass387.97
IUPAC Name1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine
SMILESO=S(c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H14BrFN2OS2/c15-13-5-6-14(20-13)21(19)18-9-7-17(8-10-18)12-3-1-11(16)2-4-12/h1-6H,7-10H2
InChIKeyAZPOJYYAOWYHFC-UHFFFAOYSA-N
XLogP3.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2018945
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfinylphenoxy]-2-methylpropanoic acid
CID 142952983
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium
CID 10903809
[4-(4-fluorophenyl)piperazin-1-yl]methanesulfinate
CID 174458116
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
(E)-3-(5-bromothiophen-2-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]prop-2-enamide
CID 34991121
(5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 60629640
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
1-(5-bromothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51363090

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine (CID 142132865) is 1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine is O=S(c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine?
The InChIKey is AZPOJYYAOWYHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2OS2/c15-13-5-6-14(20-13)21(19)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)sulfinyl-4-(4-fluorophenyl)piperazine?
1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine has a molecular weight of 389.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfinyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 142132865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).