2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride

C8H16F2N2O4S2 — CID 18949346

IUPAC2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCC1CNCCN1CCS(=O)(=O)F
InChIInChI=1S/C8H16F2N2O4S2/c9-17(13,14)5-1-8-7-11-2-3-12(8)4-6-18(10,15)16/h8,11H,1-7H2
InChIKeyUOGGWEMLBLKRIQ-UHFFFAOYSA-N
MW306.36 g/mol
LogP-0.75
Rot. Bonds6

About 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride

2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride (PubChem CID 18949346) has the molecular formula C8H16F2N2O4S2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride
PubChem CID18949346
Molecular FormulaC8H16F2N2O4S2
Molecular Weight306.36 g/mol
Exact Mass306.05
IUPAC Name2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCC1CNCCN1CCS(=O)(=O)F
InChIInChI=1S/C8H16F2N2O4S2/c9-17(13,14)5-1-8-7-11-2-3-12(8)4-6-18(10,15)16/h8,11H,1-7H2
InChIKeyUOGGWEMLBLKRIQ-UHFFFAOYSA-N
XLogP-0.75
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride 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

Piperazinediethanesulfonic acid
CID 22719160
N,N-dimethyl-3-(3-methylpiperazin-1-yl)sulfonylpropane-1-sulfonamide
CID 121555234
3-(1,1-Difluoroethyl)-1-ethylsulfonylpiperazine
CID 137536927
3-Piperazin-1-ylpropane-1-sulfonic acid;trifluoromethanesulfonic acid
CID 175439277
N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine
CID 176837586
N,N-dimethyl-2-[3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine
CID 176837615
Ethylpiperazine-n-2-ethanesulphonic acid
CID 129844605
N-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylpropan-1-amine
CID 62970915
N-propan-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylpropan-1-amine
CID 65798901
2-[4-(4,4,4-Trifluorobutylsulfonyl)piperazin-1-yl]butan-1-amine
CID 83048674
2,5-Diethyl-1-(4,4,4-trifluorobutylsulfonyl)piperazine
CID 83059996
2-(ethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide
CID 120778692

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride?
The IUPAC name of 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride (CID 18949346) is 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride?
The canonical SMILES for 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride is O=S(=O)(F)CCC1CNCCN1CCS(=O)(=O)F.
What is the InChIKey of 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride?
The InChIKey is UOGGWEMLBLKRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O4S2/c9-17(13,14)5-1-8-7-11-2-3-12(8)4-6-18(10,15)16/h8,11H,1-7H2.
What are the key properties of 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride?
2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride has a molecular weight of 306.36 g/mol, XLogP of -0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorosulfonylethyl)piperazin-2-yl]ethanesulfonyl fluoride is sourced from PubChem (CID 18949346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).