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

C14H14BrFN2O2S2 — CID 4636998

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H14BrFN2O2S2/c15-13-5-6-14(21-13)22(19,20)18-9-7-17(8-10-18)12-4-2-1-3-11(12)16/h1-6H,7-10H2
InChIKeyQXQCUJHFKTVHRY-UHFFFAOYSA-N
MW405.31 g/mol
LogP3.16
Rot. Bonds3

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

1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine (PubChem CID 4636998) 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-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
PubChem CID4636998
Molecular FormulaC14H14BrFN2O2S2
Molecular Weight405.31 g/mol
Exact Mass403.97
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H14BrFN2O2S2/c15-13-5-6-14(21-13)22(19,20)18-9-7-17(8-10-18)12-4-2-1-3-11(12)16/h1-6H,7-10H2
InChIKeyQXQCUJHFKTVHRY-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine (CID 4636998) is 1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine is O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The InChIKey is QXQCUJHFKTVHRY-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)12-4-2-1-3-11(12)16/h1-6H,7-10H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
1-(5-bromothiophen-2-yl)sulfonyl-4-(2-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-(2-fluorophenyl)piperazine is sourced from PubChem (CID 4636998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).