1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride

C12H18ClFN2O3S — CID 120708137

IUPAC1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCOc1cc(S(=O)(=O)N2CCNCC2C)ccc1F.Cl
InChIInChI=1S/C12H17FN2O3S.ClH/c1-9-8-14-5-6-15(9)19(16,17)10-3-4-11(13)12(7-10)18-2;/h3-4,7,9,14H,5-6,8H2,1-2H3;1H
InChIKeyFXIVPICWWZZCTR-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.24
Rot. Bonds3

About 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride

1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride (PubChem CID 120708137) has the molecular formula C12H18ClFN2O3S and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
PubChem CID120708137
Molecular FormulaC12H18ClFN2O3S
Molecular Weight324.81 g/mol
Exact Mass324.07
IUPAC Name1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCOc1cc(S(=O)(=O)N2CCNCC2C)ccc1F.Cl
InChIInChI=1S/C12H17FN2O3S.ClH/c1-9-8-14-5-6-15(9)19(16,17)10-3-4-11(13)12(7-10)18-2;/h3-4,7,9,14H,5-6,8H2,1-2H3;1H
InChIKeyFXIVPICWWZZCTR-UHFFFAOYSA-N
XLogP1.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluoro-3-methoxyphenyl)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-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934
2-fluoro-5-(2-methylpiperazin-1-yl)sulfonylbenzonitrile;hydrochloride
CID 119969888
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694
(2S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717062
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine
CID 119969695
(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716849
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride (CID 120708137) is 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride is COc1cc(S(=O)(=O)N2CCNCC2C)ccc1F.Cl.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The InChIKey is FXIVPICWWZZCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S.ClH/c1-9-8-14-5-6-15(9)19(16,17)10-3-4-11(13)12(7-10)18-2;/h3-4,7,9,14H,5-6,8H2,1-2H3;1H.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120708137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).