1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine

C19H23FN2O2S — CID 2294701

IUPAC1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C19H23FN2O2S/c1-14-12-16(3)19(13-15(14)2)25(23,24)22-10-8-21(9-11-22)18-6-4-17(20)5-7-18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyRMYYSTDWBGQWFG-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine

1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine (PubChem CID 2294701) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine
PubChem CID2294701
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C19H23FN2O2S/c1-14-12-16(3)19(13-15(14)2)25(23,24)22-10-8-21(9-11-22)18-6-4-17(20)5-7-18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyRMYYSTDWBGQWFG-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Tert-butylbenzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 1041738
1-(4-Tert-butylbenzenesulfonyl)-4-(2-fluorophenyl)piperazine
CID 1277351
Arylsulfonylpiperazine, 29
CID 19684374
Arylsulfonylpiperazine, 28
CID 44237029
Arylsulfonylpiperazine, 35
CID 44237030
N-(Cyclohexylmethyl)-N-(3-(4-(4-fluorophenyl)piperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 46232653
1-[(2,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 775783
ST50831294
CID 777204
1-[(3,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 786037
5-fluoro-2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738594
1-[(4-Fluoro-3-methylphenyl)sulfonyl]-4-(2-methylphenyl)piperazine
CID 1259136
1-(2,6-Dimethylphenyl)-4-[(4-fluoro-3-methylphenyl)sulfonyl]piperazine
CID 1262260

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine (CID 2294701) is 1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine is Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine?
The InChIKey is RMYYSTDWBGQWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-14-12-16(3)19(13-15(14)2)25(23,24)22-10-8-21(9-11-22)18-6-4-17(20)5-7-18/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine?
1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine has a molecular weight of 362.47 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2294701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).