1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine

C19H23FN2O2S — CID 1262260

IUPAC1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1F
InChIInChI=1S/C19H23FN2O2S/c1-14-5-4-6-15(2)19(14)21-9-11-22(12-10-21)25(23,24)17-7-8-18(20)16(3)13-17/h4-8,13H,9-12H2,1-3H3
InChIKeyVIOBTVPHIMFHDZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.26
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine

1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine (PubChem CID 1262260) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
PubChem CID1262260
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1F
InChIInChI=1S/C19H23FN2O2S/c1-14-5-4-6-15(2)19(14)21-9-11-22(12-10-21)25(23,24)17-7-8-18(20)16(3)13-17/h4-8,13H,9-12H2,1-3H3
InChIKeyVIOBTVPHIMFHDZ-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-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine (CID 1262260) is 1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine is Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1F.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine?
The InChIKey is VIOBTVPHIMFHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-14-5-4-6-15(2)19(14)21-9-11-22(12-10-21)25(23,24)17-7-8-18(20)16(3)13-17/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine?
1-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)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-(2,6-dimethylphenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 1262260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).