1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine

C19H18F2N2O2S2 — CID 24556207

IUPAC1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C19H18F2N2O2S2/c20-17-6-5-15(11-18(17)21)27(24,25)23-9-7-22(8-10-23)12-14-13-26-19-4-2-1-3-16(14)19/h1-6,11,13H,7-10,12H2
InChIKeyHWJQRCNARKRBEY-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.69
Rot. Bonds4

About 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine

1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine (PubChem CID 24556207) has the molecular formula C19H18F2N2O2S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
PubChem CID24556207
Molecular FormulaC19H18F2N2O2S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C19H18F2N2O2S2/c20-17-6-5-15(11-18(17)21)27(24,25)23-9-7-22(8-10-23)12-14-13-26-19-4-2-1-3-16(14)19/h1-6,11,13H,7-10,12H2
InChIKeyHWJQRCNARKRBEY-UHFFFAOYSA-N
XLogP3.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 24556213
N-(1-benzothiophen-3-ylmethyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55785759
1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 17446186
1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 17374335
1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208261
2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 27182199
1-(2-chloroethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 63397139
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine
CID 37498338
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 60705027
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 4828514
1-(4-chlorophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 17366247

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine (CID 24556207) is 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2csc3ccccc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine?
The InChIKey is HWJQRCNARKRBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2S2/c20-17-6-5-15(11-18(17)21)27(24,25)23-9-7-22(8-10-23)12-14-13-26-19-4-2-1-3-16(14)19/h1-6,11,13H,7-10,12H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine?
1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine has a molecular weight of 408.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 24556207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).