1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride

C11H16ClFN2O2S — CID 119981991

IUPAC1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cccc(F)c2)CCN1.Cl
InChIInChI=1S/C11H15FN2O2S.ClH/c1-9-8-14(6-5-13-9)17(15,16)11-4-2-3-10(12)7-11;/h2-4,7,9,13H,5-6,8H2,1H3;1H
InChIKeyBCUJQTPWNAFIBB-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.23
Rot. Bonds2

About 1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride

1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 119981991) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID119981991
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cccc(F)c2)CCN1.Cl
InChIInChI=1S/C11H15FN2O2S.ClH/c1-9-8-14(6-5-13-9)17(15,16)11-4-2-3-10(12)7-11;/h2-4,7,9,13H,5-6,8H2,1H3;1H
InChIKeyBCUJQTPWNAFIBB-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426
3-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine;hydrochloride
CID 119982212
1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981797
(3S)-3-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 104976476
1-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939
(3S)-3-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 104976600
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
CID 119981962
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride (CID 119981991) is 1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride is CC1CN(S(=O)(=O)c2cccc(F)c2)CCN1.Cl.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is BCUJQTPWNAFIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S.ClH/c1-9-8-14(6-5-13-9)17(15,16)11-4-2-3-10(12)7-11;/h2-4,7,9,13H,5-6,8H2,1H3;1H.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119981991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).