1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine

C23H21FN2O3S2 — CID 24736176

IUPAC1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(Cc2cc3cc(-c4cccc(F)c4)ccc3o2)CC1
InChIInChI=1S/C23H21FN2O3S2/c24-20-4-1-3-17(14-20)18-6-7-22-19(13-18)15-21(29-22)16-25-8-10-26(11-9-25)31(27,28)23-5-2-12-30-23/h1-7,12-15H,8-11,16H2
InChIKeyOWSSGKMAUZKJAN-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.81
Rot. Bonds5

About 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine

1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 24736176) has the molecular formula C23H21FN2O3S2 and a molecular weight of 456.56 g/mol. Its IUPAC name is 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID24736176
Molecular FormulaC23H21FN2O3S2
Molecular Weight456.56 g/mol
Exact Mass456.10
IUPAC Name1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(Cc2cc3cc(-c4cccc(F)c4)ccc3o2)CC1
InChIInChI=1S/C23H21FN2O3S2/c24-20-4-1-3-17(14-20)18-6-7-22-19(13-18)15-21(29-22)16-25-8-10-26(11-9-25)31(27,28)23-5-2-12-30-23/h1-7,12-15H,8-11,16H2
InChIKeyOWSSGKMAUZKJAN-UHFFFAOYSA-N
XLogP4.81
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane;hydrochloride
CID 24737319
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-methylsulfonyl-1,4-diazepane
CID 24737280
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-(3-methoxyphenyl)sulfonyl-1,4-diazepane
CID 24737285
1-ethyl-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736185
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 24736188
3-[[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 24736187
[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 24737275
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
N-(2-cyanophenyl)-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carboxamide
CID 24736183
N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680339
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927
2-(3-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 8924494

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine (CID 24736176) is 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(Cc2cc3cc(-c4cccc(F)c4)ccc3o2)CC1.
What is the InChIKey of 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is OWSSGKMAUZKJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S2/c24-20-4-1-3-17(14-20)18-6-7-22-19(13-18)15-21(29-22)16-25-8-10-26(11-9-25)31(27,28)23-5-2-12-30-23/h1-7,12-15H,8-11,16H2.
What are the key properties of 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 456.56 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 24736176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).