1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride

C11H15Cl2FN2O2S — CID 120894010

IUPAC1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)c1cc(Cl)ccc1F.Cl
InChIInChI=1S/C11H14ClFN2O2S.ClH/c1-8-7-14-4-5-15(8)18(16,17)11-6-9(12)2-3-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H
InChIKeyUYZPZKYZCAOZMW-UHFFFAOYSA-N
MW329.22 g/mol
LogP1.88
Rot. Bonds2

About 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride

1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride (PubChem CID 120894010) has the molecular formula C11H15Cl2FN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
PubChem CID120894010
Molecular FormulaC11H15Cl2FN2O2S
Molecular Weight329.22 g/mol
Exact Mass328.02
IUPAC Name1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)c1cc(Cl)ccc1F.Cl
InChIInChI=1S/C11H14ClFN2O2S.ClH/c1-8-7-14-4-5-15(8)18(16,17)11-6-9(12)2-3-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H
InChIKeyUYZPZKYZCAOZMW-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672963
1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 62673310
methyl 4-chloro-2-(2-methylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 119970165
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
(2S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717062
(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717060
(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine
CID 82755471
(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120717146
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708137
3-fluoro-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 124691037

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride (CID 120894010) is 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride is CC1CNCCN1S(=O)(=O)c1cc(Cl)ccc1F.Cl.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The InChIKey is UYZPZKYZCAOZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S.ClH/c1-8-7-14-4-5-15(8)18(16,17)11-6-9(12)2-3-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H.
What are the key properties of 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride has a molecular weight of 329.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120894010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).