4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine

C18H21FN2O2S — CID 23741901

IUPAC4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2C)c1
InChIInChI=1S/C18H21FN2O2S/c1-14-6-5-7-16(12-14)21-11-10-20(13-15(21)2)24(22,23)18-9-4-3-8-17(18)19/h3-9,12,15H,10-11,13H2,1-2H3
InChIKeyXYRJUYWUEZRLDD-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.03
Rot. Bonds3

About 4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine

4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine (PubChem CID 23741901) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
PubChem CID23741901
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2C)c1
InChIInChI=1S/C18H21FN2O2S/c1-14-6-5-7-16(12-14)21-11-10-20(13-15(21)2)24(22,23)18-9-4-3-8-17(18)19/h3-9,12,15H,10-11,13H2,1-2H3
InChIKeyXYRJUYWUEZRLDD-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3406889
4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3315256
2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 4538990
4-(3-bromophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3393919
6-methyl-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 4071561
1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione
CID 3244269
(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 7042227
[1,5-dimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53068623
N-(2-ethoxyphenyl)-4-fluoro-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
CID 5082465
2-[1,5-dimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazole
CID 53104491
3-methyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936224
2,7-dimethyl-6-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51609877

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine?
The IUPAC name of 4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine (CID 23741901) is 4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine.
What is the SMILES notation for 4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine?
The canonical SMILES for 4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine is Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2C)c1.
What is the InChIKey of 4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine?
The InChIKey is XYRJUYWUEZRLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-14-6-5-7-16(12-14)21-11-10-20(13-15(21)2)24(22,23)18-9-4-3-8-17(18)19/h3-9,12,15H,10-11,13H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine?
4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine has a molecular weight of 348.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine is sourced from PubChem (CID 23741901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).