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

C18H17Cl2FN2O3S — CID 22831097

IUPAC2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H17Cl2FN2O3S/c19-14-5-4-13(17(20)11-14)10-18(24)22-6-8-23(9-7-22)27(25,26)16-3-1-2-15(21)12-16/h1-5,11-12H,6-10H2
InChIKeyZQMCZFHNEDGSHE-UHFFFAOYSA-N
MW431.32 g/mol
LogP3.21
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 22831097) has the molecular formula C18H17Cl2FN2O3S and a molecular weight of 431.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID22831097
Molecular FormulaC18H17Cl2FN2O3S
Molecular Weight431.32 g/mol
Exact Mass430.03
IUPAC Name2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H17Cl2FN2O3S/c19-14-5-4-13(17(20)11-14)10-18(24)22-6-8-23(9-7-22)27(25,26)16-3-1-2-15(21)12-16/h1-5,11-12H,6-10H2
InChIKeyZQMCZFHNEDGSHE-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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Related Compounds

1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 26204806
2-(4-chlorophenyl)sulfanyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 18164606
4-chloro-N-[3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
CID 17427990
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 9369420
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 52897126
N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27868228
2-(azocan-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8679846
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 78781800
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)sulfanylethanone
CID 26870827
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 4820420
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 9369904

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 22831097) is 2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is ZQMCZFHNEDGSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O3S/c19-14-5-4-13(17(20)11-14)10-18(24)22-6-8-23(9-7-22)27(25,26)16-3-1-2-15(21)12-16/h1-5,11-12H,6-10H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]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 2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 22831097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).