1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride

C11H16ClFN2O2S — CID 119961493

IUPAC1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNCC2)cc1F.Cl
InChIInChI=1S/C11H15FN2O2S.ClH/c1-9-2-3-10(8-11(9)12)17(15,16)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyISDDIPUPMQCUSL-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.15
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride

1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 119961493) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride
PubChem CID119961493
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNCC2)cc1F.Cl
InChIInChI=1S/C11H15FN2O2S.ClH/c1-9-2-3-10(8-11(9)12)17(15,16)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyISDDIPUPMQCUSL-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963513
1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine
CID 39622444
1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
CID 43361733
2-fluoro-5-piperazin-1-ylsulfonylbenzonitrile
CID 63287823
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871
1-(3-fluoro-4-methylphenyl)sulfonyl-4-(oxan-4-yl)piperazine
CID 126792044
1-(3-methyl-4-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963568
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
5-(1,4-diazepan-1-ylsulfonyl)-2-fluorobenzonitrile;hydrochloride
CID 119963361
[1-(3-fluoro-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777837

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride (CID 119961493) is 1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCNCC2)cc1F.Cl.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is ISDDIPUPMQCUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S.ClH/c1-9-2-3-10(8-11(9)12)17(15,16)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H.
What are the key properties of 1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride?
1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119961493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).