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

C19H20ClFN2O4S — CID 2565147

IUPAC2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C19H20ClFN2O4S/c1-27-14-5-7-15(8-6-14)28(25,26)23-11-9-22(10-12-23)19(24)13-16-17(20)3-2-4-18(16)21/h2-8H,9-13H2,1H3
InChIKeyOCJBJBGSLIFENN-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.56
Rot. Bonds5

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

2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 2565147) has the molecular formula C19H20ClFN2O4S and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID2565147
Molecular FormulaC19H20ClFN2O4S
Molecular Weight426.90 g/mol
Exact Mass426.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C19H20ClFN2O4S/c1-27-14-5-7-15(8-6-14)28(25,26)23-11-9-22(10-12-23)19(24)13-16-17(20)3-2-4-18(16)21/h2-8H,9-13H2,1H3
InChIKeyOCJBJBGSLIFENN-UHFFFAOYSA-N
XLogP2.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanenitrile
CID 108567472
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone (CID 2565147) is 2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is OCJBJBGSLIFENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4S/c1-27-14-5-7-15(8-6-14)28(25,26)23-11-9-22(10-12-23)19(24)13-16-17(20)3-2-4-18(16)21/h2-8H,9-13H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 426.90 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 2565147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).