2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone

C19H18ClFN2O2S — CID 32520629

IUPAC2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ccccc1Cl)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H18ClFN2O2S/c20-16-6-1-2-7-17(16)26-13-18(24)22-8-10-23(11-9-22)19(25)14-4-3-5-15(21)12-14/h1-7,12H,8-11,13H2
InChIKeyKHNDJRHGPIPNRS-UHFFFAOYSA-N
MW392.88 g/mol
LogP3.56
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone

2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone (PubChem CID 32520629) has the molecular formula C19H18ClFN2O2S and a molecular weight of 392.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
PubChem CID32520629
Molecular FormulaC19H18ClFN2O2S
Molecular Weight392.88 g/mol
Exact Mass392.08
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ccccc1Cl)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H18ClFN2O2S/c20-16-6-1-2-7-17(16)26-13-18(24)22-8-10-23(11-9-22)19(25)14-4-3-5-15(21)12-14/h1-7,12H,8-11,13H2
InChIKeyKHNDJRHGPIPNRS-UHFFFAOYSA-N
XLogP3.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone (CID 32520629) is 2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone is O=C(CSc1ccccc1Cl)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is KHNDJRHGPIPNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2S/c20-16-6-1-2-7-17(16)26-13-18(24)22-8-10-23(11-9-22)19(25)14-4-3-5-15(21)12-14/h1-7,12H,8-11,13H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone?
2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 392.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 32520629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).