3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

C24H25FN2O5S — CID 27445409

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(-c4ccccc4F)o3)CC2)cc1
InChIInChI=1S/C24H25FN2O5S/c1-31-18-6-10-20(11-7-18)33(29,30)27-16-14-26(15-17-27)24(28)13-9-19-8-12-23(32-19)21-4-2-3-5-22(21)25/h2-8,10-12H,9,13-17H2,1H3
InChIKeyOGEKTMOOMIRKPV-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.56
Rot. Bonds7

About 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 27445409) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID27445409
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(-c4ccccc4F)o3)CC2)cc1
InChIInChI=1S/C24H25FN2O5S/c1-31-18-6-10-20(11-7-18)33(29,30)27-16-14-26(15-17-27)24(28)13-9-19-8-12-23(32-19)21-4-2-3-5-22(21)25/h2-8,10-12H,9,13-17H2,1H3
InChIKeyOGEKTMOOMIRKPV-UHFFFAOYSA-N
XLogP3.56
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 27445409) is 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(-c4ccccc4F)o3)CC2)cc1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is OGEKTMOOMIRKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-31-18-6-10-20(11-7-18)33(29,30)27-16-14-26(15-17-27)24(28)13-9-19-8-12-23(32-19)21-4-2-3-5-22(21)25/h2-8,10-12H,9,13-17H2,1H3.
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 472.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 27445409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).