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

C17H18F2N2O2S — CID 113081406

IUPAC1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C17H18F2N2O2S/c1-13-2-5-15(6-3-13)24(22,23)21-10-8-20(9-11-21)14-4-7-16(18)17(19)12-14/h2-7,12H,8-11H2,1H3
InChIKeyGKGPEOCOKRVMLC-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.78
Rot. Bonds3

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

1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 113081406) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID113081406
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C17H18F2N2O2S/c1-13-2-5-15(6-3-13)24(22,23)21-10-8-20(9-11-21)14-4-7-16(18)17(19)12-14/h2-7,12H,8-11H2,1H3
InChIKeyGKGPEOCOKRVMLC-UHFFFAOYSA-N
XLogP2.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-4-(3,4-difluorophenyl)piperazine
CID 113081441
1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113081413
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
1-(3-chloro-4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113077138
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
1-(4-methylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 154576516
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 55352164
2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole
CID 110643432
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 113081406) is 1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is GKGPEOCOKRVMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c1-13-2-5-15(6-3-13)24(22,23)21-10-8-20(9-11-21)14-4-7-16(18)17(19)12-14/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 352.41 g/mol, XLogP of 2.78, 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)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113081406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).