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

C11H15ClF2N2O2S — CID 120716849

IUPAC(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1cc(F)cc(F)c1.Cl
InChIInChI=1S/C11H14F2N2O2S.ClH/c1-8-7-14-2-3-15(8)18(16,17)11-5-9(12)4-10(13)6-11;/h4-6,8,14H,2-3,7H2,1H3;1H/t8-;/m1./s1
InChIKeyKSMXMCHCWTUFBS-DDWIOCJRSA-N
MW312.77 g/mol
LogP1.37
Rot. Bonds2

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

(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride (PubChem CID 120716849) has the molecular formula C11H15ClF2N2O2S and a molecular weight of 312.77 g/mol. Its IUPAC name is (2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
PubChem CID120716849
Molecular FormulaC11H15ClF2N2O2S
Molecular Weight312.77 g/mol
Exact Mass312.05
IUPAC Name(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1cc(F)cc(F)c1.Cl
InChIInChI=1S/C11H14F2N2O2S.ClH/c1-8-7-14-2-3-15(8)18(16,17)11-5-9(12)4-10(13)6-11;/h4-6,8,14H,2-3,7H2,1H3;1H/t8-;/m1./s1
InChIKeyKSMXMCHCWTUFBS-DDWIOCJRSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
(2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine
CID 82755664
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708137
1-(3-bromo-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 120708117
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine
CID 62672617
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine
CID 119969695

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride (CID 120716849) is (2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride is C[C@@H]1CNCCN1S(=O)(=O)c1cc(F)cc(F)c1.Cl.
What is the InChIKey of (2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The InChIKey is KSMXMCHCWTUFBS-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H14F2N2O2S.ClH/c1-8-7-14-2-3-15(8)18(16,17)11-5-9(12)4-10(13)6-11;/h4-6,8,14H,2-3,7H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride has a molecular weight of 312.77 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120716849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).