1-(difluoromethylsulfonyl)piperazine;hydrochloride

C5H11ClF2N2O2S — CID 154747321

IUPAC1-(difluoromethylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(C(F)F)N1CCNCC1
InChIInChI=1S/C5H10F2N2O2S.ClH/c6-5(7)12(10,11)9-3-1-8-2-4-9;/h5,8H,1-4H2;1H
InChIKeyBAXMJDUVCBTVTF-UHFFFAOYSA-N
MW236.67 g/mol
LogP-0.13
Rot. Bonds2

About 1-(difluoromethylsulfonyl)piperazine;hydrochloride

1-(difluoromethylsulfonyl)piperazine;hydrochloride (PubChem CID 154747321) has the molecular formula C5H11ClF2N2O2S and a molecular weight of 236.67 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)piperazine;hydrochloride
PubChem CID154747321
Molecular FormulaC5H11ClF2N2O2S
Molecular Weight236.67 g/mol
Exact Mass236.02
IUPAC Name1-(difluoromethylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(C(F)F)N1CCNCC1
InChIInChI=1S/C5H10F2N2O2S.ClH/c6-5(7)12(10,11)9-3-1-8-2-4-9;/h5,8H,1-4H2;1H
InChIKeyBAXMJDUVCBTVTF-UHFFFAOYSA-N
XLogP-0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methylsulfonyl)piperazine
CID 709161
1-Methanesulfonylpiperazine hydrochloride
CID 16265612
1-Trifluoromethanesulfonylpiperazine hydrochloride
CID 22665842
Piperazinium trifluoromethanesulfonate
CID 129746813
4-(Methylsulfonyl)piperazin-1-ium chloride
CID 68731830
(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
1-((Trifluoromethyl)sulfonyl)piperazine
CID 18690833
1-Difluoromethanesulfonylpiperazine
CID 28606469
1-(2-Fluoroethylsulfonyl)piperazine
CID 54461174
1-(4,4,4-Trifluorobutylsulfonyl)piperazine
CID 54512311
1-Methanidyl-4-(trifluoromethylsulfonyl)piperazin-1-ium
CID 57868221
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62658738

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 1-(difluoromethylsulfonyl)piperazine;hydrochloride (CID 154747321) is 1-(difluoromethylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(difluoromethylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 1-(difluoromethylsulfonyl)piperazine;hydrochloride is Cl.O=S(=O)(C(F)F)N1CCNCC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)piperazine;hydrochloride?
The InChIKey is BAXMJDUVCBTVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2S.ClH/c6-5(7)12(10,11)9-3-1-8-2-4-9;/h5,8H,1-4H2;1H.
What are the key properties of 1-(difluoromethylsulfonyl)piperazine;hydrochloride?
1-(difluoromethylsulfonyl)piperazine;hydrochloride has a molecular weight of 236.67 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 154747321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).