1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone

C18H18ClFN2O3S2 — CID 26756892

IUPAC1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H18ClFN2O3S2/c19-16-3-1-2-4-17(16)27(24,25)22-11-9-21(10-12-22)18(23)13-26-15-7-5-14(20)6-8-15/h1-8H,9-13H2
InChIKeyJVNRYZRQDKSXHE-UHFFFAOYSA-N
MW428.94 g/mol
LogP3.10
Rot. Bonds5

About 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone

1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone (PubChem CID 26756892) has the molecular formula C18H18ClFN2O3S2 and a molecular weight of 428.94 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
PubChem CID26756892
Molecular FormulaC18H18ClFN2O3S2
Molecular Weight428.94 g/mol
Exact Mass428.04
IUPAC Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H18ClFN2O3S2/c19-16-3-1-2-4-17(16)27(24,25)22-11-9-21(10-12-22)18(23)13-26-15-7-5-14(20)6-8-15/h1-8H,9-13H2
InChIKeyJVNRYZRQDKSXHE-UHFFFAOYSA-N
XLogP3.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4816176
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
2-(4-chlorophenyl)sulfanyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 18164606
2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 26570877
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 31794014
N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 41275014
2-(4-chlorophenyl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2632052
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 55757476
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 26312773
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 7676494

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone (CID 26756892) is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone is O=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone?
The InChIKey is JVNRYZRQDKSXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S2/c19-16-3-1-2-4-17(16)27(24,25)22-11-9-21(10-12-22)18(23)13-26-15-7-5-14(20)6-8-15/h1-8H,9-13H2.
What are the key properties of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone?
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone has a molecular weight of 428.94 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 26756892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).