1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine

C14H12BrCl2FN2O2S2 — CID 3554016

IUPAC1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESO=S(=O)(c1c(Cl)sc(Cl)c1Br)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H12BrCl2FN2O2S2/c15-11-12(14(17)23-13(11)16)24(21,22)20-7-5-19(6-8-20)10-4-2-1-3-9(10)18/h1-4H,5-8H2
InChIKeyXJIXFTPHCKTYEZ-UHFFFAOYSA-N
MW474.20 g/mol
LogP4.47
Rot. Bonds3

About 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine

1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine (PubChem CID 3554016) has the molecular formula C14H12BrCl2FN2O2S2 and a molecular weight of 474.20 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine
PubChem CID3554016
Molecular FormulaC14H12BrCl2FN2O2S2
Molecular Weight474.20 g/mol
Exact Mass471.89
IUPAC Name1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESO=S(=O)(c1c(Cl)sc(Cl)c1Br)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H12BrCl2FN2O2S2/c15-11-12(14(17)23-13(11)16)24(21,22)20-7-5-19(6-8-20)10-4-2-1-3-9(10)18/h1-4H,5-8H2
InChIKeyXJIXFTPHCKTYEZ-UHFFFAOYSA-N
XLogP4.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.20
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine (CID 3554016) is 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine is O=S(=O)(c1c(Cl)sc(Cl)c1Br)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The InChIKey is XJIXFTPHCKTYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2FN2O2S2/c15-11-12(14(17)23-13(11)16)24(21,22)20-7-5-19(6-8-20)10-4-2-1-3-9(10)18/h1-4H,5-8H2.
What are the key properties of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine has a molecular weight of 474.20 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 3554016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).