1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine

C18H19ClF2N2O2S — CID 10157846

IUPAC1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H19ClF2N2O2S/c19-16-3-1-2-4-18(16)26(24,25)23-11-9-22(10-12-23)8-7-14-5-6-15(20)13-17(14)21/h1-6,13H,7-12H2
InChIKeyLYSKTPQQNFUTQW-UHFFFAOYSA-N
MW400.88 g/mol
LogP3.17
Rot. Bonds5

About 1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine

1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine (PubChem CID 10157846) has the molecular formula C18H19ClF2N2O2S and a molecular weight of 400.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine
PubChem CID10157846
Molecular FormulaC18H19ClF2N2O2S
Molecular Weight400.88 g/mol
Exact Mass400.08
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H19ClF2N2O2S/c19-16-3-1-2-4-18(16)26(24,25)23-11-9-22(10-12-23)8-7-14-5-6-15(20)13-17(14)21/h1-6,13H,7-12H2
InChIKeyLYSKTPQQNFUTQW-UHFFFAOYSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.88
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine (CID 10157846) is 1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine is O=S(=O)(c1ccccc1Cl)N1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine?
The InChIKey is LYSKTPQQNFUTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O2S/c19-16-3-1-2-4-18(16)26(24,25)23-11-9-22(10-12-23)8-7-14-5-6-15(20)13-17(14)21/h1-6,13H,7-12H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine?
1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine has a molecular weight of 400.88 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine is sourced from PubChem (CID 10157846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).