2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine

C15H17FN2O2S2 — CID 53189156

IUPAC2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S2/c1-17-8-9-18(22(19,20)15-3-2-10-21-15)11-14(17)12-4-6-13(16)7-5-12/h2-7,10,14H,8-9,11H2,1H3
InChIKeyNMFSMGAHKUCHEC-UHFFFAOYSA-N
MW340.44 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine

2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 53189156) has the molecular formula C15H17FN2O2S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID53189156
Molecular FormulaC15H17FN2O2S2
Molecular Weight340.44 g/mol
Exact Mass340.07
IUPAC Name2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S2/c1-17-8-9-18(22(19,20)15-3-2-10-21-15)11-14(17)12-4-6-13(16)7-5-12/h2-7,10,14H,8-9,11H2,1H3
InChIKeyNMFSMGAHKUCHEC-UHFFFAOYSA-N
XLogP2.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine (CID 53189156) is 2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine is CN1CCN(S(=O)(=O)c2cccs2)CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is NMFSMGAHKUCHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S2/c1-17-8-9-18(22(19,20)15-3-2-10-21-15)11-14(17)12-4-6-13(16)7-5-12/h2-7,10,14H,8-9,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 340.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 53189156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).