1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone

C18H17Cl2FN2O3S — CID 24945481

IUPAC1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H17Cl2FN2O3S/c19-14-10-15(20)12-17(11-14)27(25,26)23-7-5-22(6-8-23)18(24)9-13-1-3-16(21)4-2-13/h1-4,10-12H,5-9H2
InChIKeyWKCVCJFSIBXJFO-UHFFFAOYSA-N
MW431.32 g/mol
LogP3.21
Rot. Bonds4

About 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 24945481) has the molecular formula C18H17Cl2FN2O3S and a molecular weight of 431.32 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID24945481
Molecular FormulaC18H17Cl2FN2O3S
Molecular Weight431.32 g/mol
Exact Mass430.03
IUPAC Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H17Cl2FN2O3S/c19-14-10-15(20)12-17(11-14)27(25,26)23-7-5-22(6-8-23)18(24)9-13-1-3-16(21)4-2-13/h1-4,10-12H,5-9H2
InChIKeyWKCVCJFSIBXJFO-UHFFFAOYSA-N
XLogP3.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone (CID 24945481) is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is WKCVCJFSIBXJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O3S/c19-14-10-15(20)12-17(11-14)27(25,26)23-7-5-22(6-8-23)18(24)9-13-1-3-16(21)4-2-13/h1-4,10-12H,5-9H2.
What are the key properties of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 431.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 24945481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).