1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine

C12H16F2N2O2S — CID 2142611

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H16F2N2O2S/c1-2-15-5-7-16(8-6-15)19(17,18)10-3-4-11(13)12(14)9-10/h3-4,9H,2,5-8H2,1H3
InChIKeyMIMKKEIOAQJEDW-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.29
Rot. Bonds3

About 1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine

1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine (PubChem CID 2142611) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine
PubChem CID2142611
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H16F2N2O2S/c1-2-15-5-7-16(8-6-15)19(17,18)10-3-4-11(13)12(14)9-10/h3-4,9H,2,5-8H2,1H3
InChIKeyMIMKKEIOAQJEDW-UHFFFAOYSA-N
XLogP1.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine (CID 2142611) is 1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine?
The InChIKey is MIMKKEIOAQJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-2-15-5-7-16(8-6-15)19(17,18)10-3-4-11(13)12(14)9-10/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine?
1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine has a molecular weight of 290.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 2142611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).