(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C15H14BrFN2O3S2 — CID 27828067

IUPAC(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H14BrFN2O3S2/c16-14-5-4-13(23-14)15(20)18-6-8-19(9-7-18)24(21,22)12-3-1-2-11(17)10-12/h1-5,10H,6-9H2
InChIKeyVACUAPWDDJKOIY-UHFFFAOYSA-N
MW433.32 g/mol
LogP2.80
Rot. Bonds3

About (5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 27828067) has the molecular formula C15H14BrFN2O3S2 and a molecular weight of 433.32 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID27828067
Molecular FormulaC15H14BrFN2O3S2
Molecular Weight433.32 g/mol
Exact Mass431.96
IUPAC Name(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H14BrFN2O3S2/c16-14-5-4-13(23-14)15(20)18-6-8-19(9-7-18)24(21,22)12-3-1-2-11(17)10-12/h1-5,10H,6-9H2
InChIKeyVACUAPWDDJKOIY-UHFFFAOYSA-N
XLogP2.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 26559292
(5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 27852671
(2,4-difluorophenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4805726
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 26558503
(3-chloro-1-benzothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27828128
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 9369945
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 9369420
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9369509
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 26559299
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 134011505
(5-fluoro-2-methoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31305536

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 27828067) is (5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1ccc(Br)s1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is VACUAPWDDJKOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3S2/c16-14-5-4-13(23-14)15(20)18-6-8-19(9-7-18)24(21,22)12-3-1-2-11(17)10-12/h1-5,10H,6-9H2.
What are the key properties of (5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 433.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 27828067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).