1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine

C17H18F2N2O2S — CID 8749281

IUPAC1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H18F2N2O2S/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)24(22,23)17-8-4-3-7-16(17)19/h1-8H,9-13H2
InChIKeyULXVPPVNWDWULF-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.47
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine

1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine (PubChem CID 8749281) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
PubChem CID8749281
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H18F2N2O2S/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)24(22,23)17-8-4-3-7-16(17)19/h1-8H,9-13H2
InChIKeyULXVPPVNWDWULF-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-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
1-(4-chlorophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 17366247
4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 27184655
1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127
1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
CID 163331835
1-[(2-fluorophenyl)methyl]-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113074094
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 18082801
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine
CID 37498338
6-chloro-7-ethyl-4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one
CID 55351153
2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 8797199
2-[5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]sulfonylthiophen-2-yl]acetic acid
CID 47012540
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine
CID 19582940

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine (CID 8749281) is 1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccccc1F)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine?
The InChIKey is ULXVPPVNWDWULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)24(22,23)17-8-4-3-7-16(17)19/h1-8H,9-13H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine?
1-[(2-fluorophenyl)methyl]-4-(2-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-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 8749281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).