1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine

C18H21FN2O2S — CID 5012297

IUPAC1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
SMILESCc1cccc(C)c1N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H21FN2O2S/c1-14-6-5-7-15(2)18(14)20-10-12-21(13-11-20)24(22,23)17-9-4-3-8-16(17)19/h3-9H,10-13H2,1-2H3
InChIKeyIBJHEUNLSJBTHI-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.95
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine

1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine (PubChem CID 5012297) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
PubChem CID5012297
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
SMILESCc1cccc(C)c1N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H21FN2O2S/c1-14-6-5-7-15(2)18(14)20-10-12-21(13-11-20)24(22,23)17-9-4-3-8-16(17)19/h3-9H,10-13H2,1-2H3
InChIKeyIBJHEUNLSJBTHI-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
1-(2-methylphenyl)sulfonylaziridine
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CID 3799087
1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 113081312
1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
CID 113076048
1-(2,6-dimethylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 2941993
2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile
CID 1451733
1-(4-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 2128103
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 71904240
1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 46799835
4-(2-fluorophenyl)sulfonyl-7-(2-methylphenyl)-1,4-thiazepane
CID 90631477
1-(2,6-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3701613

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine (CID 5012297) is 1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine is Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine?
The InChIKey is IBJHEUNLSJBTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-14-6-5-7-15(2)18(14)20-10-12-21(13-11-20)24(22,23)17-9-4-3-8-16(17)19/h3-9H,10-13H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine?
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine has a molecular weight of 348.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 5012297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).