1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine

C18H21FN2O2S — CID 1259136

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)ccc1F
InChIInChI=1S/C18H21FN2O2S/c1-14-5-3-4-6-18(14)20-9-11-21(12-10-20)24(22,23)16-7-8-17(19)15(2)13-16/h3-8,13H,9-12H2,1-2H3
InChIKeyQIWDQMBIKITZAJ-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.95
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine

1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine (PubChem CID 1259136) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
PubChem CID1259136
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)ccc1F
InChIInChI=1S/C18H21FN2O2S/c1-14-5-3-4-6-18(14)20-9-11-21(12-10-20)24(22,23)16-7-8-17(19)15(2)13-16/h3-8,13H,9-12H2,1-2H3
InChIKeyQIWDQMBIKITZAJ-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine (CID 1259136) is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine is Cc1cc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine?
The InChIKey is QIWDQMBIKITZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-14-5-3-4-6-18(14)20-9-11-21(12-10-20)24(22,23)16-7-8-17(19)15(2)13-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine?
1-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine 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-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 1259136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).