1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine

C15H16F2N2O2S2 — CID 17446186

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H16F2N2O2S2/c16-14-4-3-13(10-15(14)17)23(20,21)19-7-5-18(6-8-19)11-12-2-1-9-22-12/h1-4,9-10H,5-8,11H2
InChIKeyXECANDUEUHPQFM-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.53
Rot. Bonds4

About 1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine

1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 17446186) has the molecular formula C15H16F2N2O2S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
PubChem CID17446186
Molecular FormulaC15H16F2N2O2S2
Molecular Weight358.44 g/mol
Exact Mass358.06
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H16F2N2O2S2/c16-14-4-3-13(10-15(14)17)23(20,21)19-7-5-18(6-8-19)11-12-2-1-9-22-12/h1-4,9-10H,5-8,11H2
InChIKeyXECANDUEUHPQFM-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 30172844
1-naphthalen-2-ylsulfonyl-4-(thiophen-2-ylmethyl)piperazine;oxalic acid
CID 90481345
1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 17374335
1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 17422638
1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 24556207
1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 60929020
1-(2-chloroethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 63397139
1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 83084047
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 30172890
1-(thiophen-2-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30990917
1-pyridin-3-ylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 131936945
2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 27182199

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine (CID 17446186) is 1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine is O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is XECANDUEUHPQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2S2/c16-14-4-3-13(10-15(14)17)23(20,21)19-7-5-18(6-8-19)11-12-2-1-9-22-12/h1-4,9-10H,5-8,11H2.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 358.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 17446186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).