1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine

C17H18F2N2O2S — CID 19682650

IUPAC1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H18F2N2O2S/c18-15-6-7-17(16(19)12-15)24(22,23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyRFBSAQAUOKZOIS-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.47
Rot. Bonds4

About 1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine

1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine (PubChem CID 19682650) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
PubChem CID19682650
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H18F2N2O2S/c18-15-6-7-17(16(19)12-15)24(22,23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyRFBSAQAUOKZOIS-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
CID 8771280
1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875306
1-(2-bromo-4-fluorophenyl)sulfonyl-4-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 52697129
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571628
1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 17461113
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26947080
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
1-[(4-tert-butylphenyl)methyl]-4-(2-chloro-4-fluorophenyl)sulfonylpiperazine
CID 3766519
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine (CID 19682650) is 1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
The InChIKey is RFBSAQAUOKZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c18-15-6-7-17(16(19)12-15)24(22,23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2.
What are the key properties of 1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine has a molecular weight of 352.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 19682650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).