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

C19H23FN2O2S — CID 7721591

IUPAC1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3F)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)18-7-5-4-6-17(18)20/h4-7,12-13H,8-11H2,1-3H3
InChIKeyLOBMFGDLFHGEQQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.26
Rot. Bonds3

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

1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine (PubChem CID 7721591) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine
PubChem CID7721591
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3F)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)18-7-5-4-6-17(18)20/h4-7,12-13H,8-11H2,1-3H3
InChIKeyLOBMFGDLFHGEQQ-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine (CID 7721591) is 1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine is Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C.
What is the InChIKey of 1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine?
The InChIKey is LOBMFGDLFHGEQQ-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)18-7-5-4-6-17(18)20/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine?
1-(2-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-(2-fluorophenyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 7721591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).