4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one

C14H12BrFN2O3S2 — CID 110657126

IUPAC4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccc(Br)s2)C1c1ccccc1F
InChIInChI=1S/C14H12BrFN2O3S2/c15-11-5-6-12(22-11)23(20,21)18-8-7-17-14(19)13(18)9-3-1-2-4-10(9)16/h1-6,13H,7-8H2,(H,17,19)
InChIKeyKYQDRWYUBNBPMY-UHFFFAOYSA-N
MW419.30 g/mol
LogP2.51
Rot. Bonds3

About 4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one

4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one (PubChem CID 110657126) has the molecular formula C14H12BrFN2O3S2 and a molecular weight of 419.30 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one
PubChem CID110657126
Molecular FormulaC14H12BrFN2O3S2
Molecular Weight419.30 g/mol
Exact Mass417.95
IUPAC Name4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccc(Br)s2)C1c1ccccc1F
InChIInChI=1S/C14H12BrFN2O3S2/c15-11-5-6-12(22-11)23(20,21)18-8-7-17-14(19)13(18)9-3-1-2-4-10(9)16/h1-6,13H,7-8H2,(H,17,19)
InChIKeyKYQDRWYUBNBPMY-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one (CID 110657126) is 4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one is O=C1NCCN(S(=O)(=O)c2ccc(Br)s2)C1c1ccccc1F.
What is the InChIKey of 4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one?
The InChIKey is KYQDRWYUBNBPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O3S2/c15-11-5-6-12(22-11)23(20,21)18-8-7-17-14(19)13(18)9-3-1-2-4-10(9)16/h1-6,13H,7-8H2,(H,17,19).
What are the key properties of 4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one?
4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one has a molecular weight of 419.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 110657126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).