4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine

C18H21FN2O2S — CID 53189150

IUPAC4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C18H21FN2O2S/c1-14-8-9-16(19)12-18(14)24(22,23)21-11-10-20(2)17(13-21)15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyCOTHAJXHLIELKD-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.81
Rot. Bonds3

About 4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine

4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine (PubChem CID 53189150) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
PubChem CID53189150
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C18H21FN2O2S/c1-14-8-9-16(19)12-18(14)24(22,23)21-11-10-20(2)17(13-21)15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyCOTHAJXHLIELKD-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine (CID 53189150) is 4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine is Cc1ccc(F)cc1S(=O)(=O)N1CCN(C)C(c2ccccc2)C1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
The InChIKey is COTHAJXHLIELKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-14-8-9-16(19)12-18(14)24(22,23)21-11-10-20(2)17(13-21)15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine has a molecular weight of 348.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-2-phenylpiperazine is sourced from PubChem (CID 53189150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).