2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

C18H17ClF2N2O3S — CID 7958555

IUPAC2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H17ClF2N2O3S/c19-16-5-2-6-17(21)15(16)12-18(24)22-7-9-23(10-8-22)27(25,26)14-4-1-3-13(20)11-14/h1-6,11H,7-10,12H2
InChIKeyFIANKCGDPWIFFG-UHFFFAOYSA-N
MW414.86 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 7958555) has the molecular formula C18H17ClF2N2O3S and a molecular weight of 414.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID7958555
Molecular FormulaC18H17ClF2N2O3S
Molecular Weight414.86 g/mol
Exact Mass414.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H17ClF2N2O3S/c19-16-5-2-6-17(21)15(16)12-18(24)22-7-9-23(10-8-22)27(25,26)14-4-1-3-13(20)11-14/h1-6,11H,7-10,12H2
InChIKeyFIANKCGDPWIFFG-UHFFFAOYSA-N
XLogP2.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 7958555) is 2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is O=C(Cc1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is FIANKCGDPWIFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O3S/c19-16-5-2-6-17(21)15(16)12-18(24)22-7-9-23(10-8-22)27(25,26)14-4-1-3-13(20)11-14/h1-6,11H,7-10,12H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 414.86 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 7958555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).