1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine

C13H19FN2O3S — CID 120710416

IUPAC1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNC(C)C2)c(C)c1F
InChIInChI=1S/C13H19FN2O3S/c1-9-8-16(7-6-15-9)20(17,18)12-5-4-11(19-3)13(14)10(12)2/h4-5,9,15H,6-8H2,1-3H3
InChIKeyKUNOZXIFFSYECM-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.13
Rot. Bonds3

About 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine

1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine (PubChem CID 120710416) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
PubChem CID120710416
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNC(C)C2)c(C)c1F
InChIInChI=1S/C13H19FN2O3S/c1-9-8-16(7-6-15-9)20(17,18)12-5-4-11(19-3)13(14)10(12)2/h4-5,9,15H,6-8H2,1-3H3
InChIKeyKUNOZXIFFSYECM-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine 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-fluoro-4-methoxy-2-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725545
(3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 120706863
(3S)-1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 104976424
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpiperazine
CID 65449942
1-(2-methoxy-5-nitrophenyl)sulfonyl-3-methylpiperazine
CID 65449938
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
1-(2-methoxy-5-nitrophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981861
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 120712898
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710861
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 104975070
(3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine
CID 124619167

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine?
The IUPAC name of 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine (CID 120710416) is 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine?
The canonical SMILES for 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine is COc1ccc(S(=O)(=O)N2CCNC(C)C2)c(C)c1F.
What is the InChIKey of 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine?
The InChIKey is KUNOZXIFFSYECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9-8-16(7-6-15-9)20(17,18)12-5-4-11(19-3)13(14)10(12)2/h4-5,9,15H,6-8H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine?
1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine has a molecular weight of 302.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 120710416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).