1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine

C15H17FN2O2S2 — CID 770625

IUPAC1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H17FN2O2S2/c16-14-1-3-15(4-2-14)22(19,20)18-8-6-17(7-9-18)11-13-5-10-21-12-13/h1-5,10,12H,6-9,11H2
InChIKeyZGUHDFISBQZPLA-UHFFFAOYSA-N
MW340.44 g/mol
LogP2.39
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine

1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine (PubChem CID 770625) has the molecular formula C15H17FN2O2S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
PubChem CID770625
Molecular FormulaC15H17FN2O2S2
Molecular Weight340.44 g/mol
Exact Mass340.07
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H17FN2O2S2/c16-14-1-3-15(4-2-14)22(19,20)18-8-6-17(7-9-18)11-13-5-10-21-12-13/h1-5,10,12H,6-9,11H2
InChIKeyZGUHDFISBQZPLA-UHFFFAOYSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26545215
2-fluoro-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzoic acid
CID 45292563
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 4820511
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26545213
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770650
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylacetic acid
CID 60948877
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747347

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine (CID 770625) is 1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine?
The InChIKey is ZGUHDFISBQZPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S2/c16-14-1-3-15(4-2-14)22(19,20)18-8-6-17(7-9-18)11-13-5-10-21-12-13/h1-5,10,12H,6-9,11H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine?
1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine has a molecular weight of 340.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 770625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).