1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine

C17H18F2N2O2S — CID 2901187

IUPAC1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H18F2N2O2S/c18-15-4-6-17(7-5-15)24(22,23)21-10-8-20(9-11-21)13-14-2-1-3-16(19)12-14/h1-7,12H,8-11,13H2
InChIKeyXBAJLCGRHGOEFZ-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.47
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine

1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 2901187) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID2901187
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H18F2N2O2S/c18-15-4-6-17(7-5-15)24(22,23)21-10-8-20(9-11-21)13-14-2-1-3-16(19)12-14/h1-7,12H,8-11,13H2
InChIKeyXBAJLCGRHGOEFZ-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-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618
1-[(3-fluorophenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine
CID 46809767
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 4994124
[1-(benzenesulfonyl)piperidin-4-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291254
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770625
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine (CID 2901187) is 1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is XBAJLCGRHGOEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c18-15-4-6-17(7-5-15)24(22,23)21-10-8-20(9-11-21)13-14-2-1-3-16(19)12-14/h1-7,12H,8-11,13H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine?
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)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-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2901187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).