1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride

C12H17ClF2N2O2S — CID 120725989

IUPAC1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
SMILESCC1NCCN(S(=O)(=O)c2cc(F)ccc2F)C1C.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-8-9(2)16(6-5-15-8)19(17,18)12-7-10(13)3-4-11(12)14;/h3-4,7-9,15H,5-6H2,1-2H3;1H
InChIKeyRPITXJIDIPMYJY-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.76
Rot. Bonds2

About 1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride

1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride (PubChem CID 120725989) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
PubChem CID120725989
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
SMILESCC1NCCN(S(=O)(=O)c2cc(F)ccc2F)C1C.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-8-9(2)16(6-5-15-8)19(17,18)12-7-10(13)3-4-11(12)14;/h3-4,7-9,15H,5-6H2,1-2H3;1H
InChIKeyRPITXJIDIPMYJY-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(2,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120725343
1-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
1-(4-bromo-5-fluoro-2-methoxyphenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120726122
1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120725488
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120725705
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725529
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725578
1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120894010

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride (CID 120725989) is 1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride is CC1NCCN(S(=O)(=O)c2cc(F)ccc2F)C1C.Cl.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
The InChIKey is RPITXJIDIPMYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c1-8-9(2)16(6-5-15-8)19(17,18)12-7-10(13)3-4-11(12)14;/h3-4,7-9,15H,5-6H2,1-2H3;1H.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120725989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).