1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine

C16H19FN2O2S2 — CID 110601997

IUPAC1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C16H19FN2O2S2/c17-15-5-2-1-4-14(15)7-8-18-9-11-19(12-10-18)23(20,21)16-6-3-13-22-16/h1-6,13H,7-12H2
InChIKeyUTMIUVWNJKWMLO-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.44
Rot. Bonds5

About 1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine

1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 110601997) has the molecular formula C16H19FN2O2S2 and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID110601997
Molecular FormulaC16H19FN2O2S2
Molecular Weight354.47 g/mol
Exact Mass354.09
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C16H19FN2O2S2/c17-15-5-2-1-4-14(15)7-8-18-9-11-19(12-10-18)23(20,21)16-6-3-13-22-16/h1-6,13H,7-12H2
InChIKeyUTMIUVWNJKWMLO-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 110412116
1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
CID 7029027
1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110358219
1-(2-chloroethyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane
CID 63397546
1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine
CID 110602324
[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 110412017
1-[4-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 110412144
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 110602325
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine (CID 110601997) is 1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(CCc2ccccc2F)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is UTMIUVWNJKWMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S2/c17-15-5-2-1-4-14(15)7-8-18-9-11-19(12-10-18)23(20,21)16-6-3-13-22-16/h1-6,13H,7-12H2.
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 354.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 110601997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).