1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine

C17H20F2N2O4S2 — CID 8553411

IUPAC1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCOc1cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)ccc1OC(F)F
InChIInChI=1S/C17H20F2N2O4S2/c1-24-15-11-13(4-5-14(15)25-17(18)19)12-20-6-8-21(9-7-20)27(22,23)16-3-2-10-26-16/h2-5,10-11,17H,6-9,12H2,1H3
InChIKeyDCXNPTKJFQFSOC-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.86
Rot. Bonds7

About 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 8553411) has the molecular formula C17H20F2N2O4S2 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID8553411
Molecular FormulaC17H20F2N2O4S2
Molecular Weight418.49 g/mol
Exact Mass418.08
IUPAC Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCOc1cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)ccc1OC(F)F
InChIInChI=1S/C17H20F2N2O4S2/c1-24-15-11-13(4-5-14(15)25-17(18)19)12-20-6-8-21(9-7-20)27(22,23)16-3-2-10-26-16/h2-5,10-11,17H,6-9,12H2,1H3
InChIKeyDCXNPTKJFQFSOC-UHFFFAOYSA-N
XLogP2.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
4-[[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 8710918
2-[[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 8711855
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 55374342
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 18082801
1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine
CID 770674
(3aS,6aR)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660864
1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110358219
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30137420
N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 4818683
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 9105975
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine (CID 8553411) is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine is COc1cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)ccc1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is DCXNPTKJFQFSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O4S2/c1-24-15-11-13(4-5-14(15)25-17(18)19)12-20-6-8-21(9-7-20)27(22,23)16-3-2-10-26-16/h2-5,10-11,17H,6-9,12H2,1H3.
What are the key properties of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 418.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 8553411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).