1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine

C18H20F2N2O2S — CID 113081413

IUPAC1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C18H20F2N2O2S/c1-2-14-3-6-16(7-4-14)25(23,24)22-11-9-21(10-12-22)15-5-8-17(19)18(20)13-15/h3-8,13H,2,9-12H2,1H3
InChIKeyDROUCEUJPNJYBF-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.04
Rot. Bonds4

About 1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine

1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine (PubChem CID 113081413) has the molecular formula C18H20F2N2O2S and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine
PubChem CID113081413
Molecular FormulaC18H20F2N2O2S
Molecular Weight366.43 g/mol
Exact Mass366.12
IUPAC Name1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C18H20F2N2O2S/c1-2-14-3-6-16(7-4-14)25(23,24)22-11-9-21(10-12-22)15-5-8-17(19)18(20)13-15/h3-8,13H,2,9-12H2,1H3
InChIKeyDROUCEUJPNJYBF-UHFFFAOYSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113081406
1-(4-tert-butylphenyl)sulfonyl-4-(3,4-difluorophenyl)piperazine
CID 113081441
1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 2198495
1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113077144
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104
methyl 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078599
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
1-(3,4-difluorophenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799661

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine (CID 113081413) is 1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The InChIKey is DROUCEUJPNJYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2S/c1-2-14-3-6-16(7-4-14)25(23,24)22-11-9-21(10-12-22)15-5-8-17(19)18(20)13-15/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine has a molecular weight of 366.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113081413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).