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

C15H16F2N2O3S — CID 17374335

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H16F2N2O3S/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
InChIKeyAENSOSMOZWZZTL-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.06
Rot. Bonds4

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

1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine (PubChem CID 17374335) has the molecular formula C15H16F2N2O3S and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
PubChem CID17374335
Molecular FormulaC15H16F2N2O3S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H16F2N2O3S/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
InChIKeyAENSOSMOZWZZTL-UHFFFAOYSA-N
XLogP2.06
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine 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-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 6466955
1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 17446186
1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 3650083
1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 3743915
1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113073924
1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582895
1-(2-chloroethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 63397139
1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 24556207
6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46677423
1-[(3,4-difluorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 78795718
(E)-1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 6215537
1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
CID 78812589

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine (CID 17374335) is 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine is O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine?
The InChIKey is AENSOSMOZWZZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3S/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-(furan-2-ylmethyl)piperazine?
1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine has a molecular weight of 342.37 g/mol, XLogP of 2.06, 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-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 17374335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).