1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride

C11H15ClF2N2O2S — CID 119981797

IUPAC1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2c(F)cccc2F)CCN1.Cl
InChIInChI=1S/C11H14F2N2O2S.ClH/c1-8-7-15(6-5-14-8)18(16,17)11-9(12)3-2-4-10(11)13;/h2-4,8,14H,5-7H2,1H3;1H
InChIKeyXVRYMWLWTKKPHR-UHFFFAOYSA-N
MW312.77 g/mol
LogP1.37
Rot. Bonds2

About 1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride

1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 119981797) has the molecular formula C11H15ClF2N2O2S and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID119981797
Molecular FormulaC11H15ClF2N2O2S
Molecular Weight312.77 g/mol
Exact Mass312.05
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2c(F)cccc2F)CCN1.Cl
InChIInChI=1S/C11H14F2N2O2S.ClH/c1-8-7-15(6-5-14-8)18(16,17)11-9(12)3-2-4-10(11)13;/h2-4,8,14H,5-7H2,1H3;1H
InChIKeyXVRYMWLWTKKPHR-UHFFFAOYSA-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

1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
2-fluoro-6-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 104976623
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
1-(3-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120710424
1-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 119982062
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063
1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981915
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride (CID 119981797) is 1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride is CC1CN(S(=O)(=O)c2c(F)cccc2F)CCN1.Cl.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is XVRYMWLWTKKPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S.ClH/c1-8-7-15(6-5-14-8)18(16,17)11-9(12)3-2-4-10(11)13;/h2-4,8,14H,5-7H2,1H3;1H.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
1-(2,6-difluorophenyl)sulfonyl-3-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 1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119981797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).