2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline

C13H18F2N2O3S — CID 63973249

IUPAC2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
SMILESCOCC1CCN(S(=O)(=O)c2cc(N)c(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2O3S/c1-20-8-9-2-4-17(5-3-9)21(18,19)13-7-12(16)10(14)6-11(13)15/h6-7,9H,2-5,8,16H2,1H3
InChIKeyJXGLAFYOJUEUSB-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.59
Rot. Bonds4

About 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline

2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline (PubChem CID 63973249) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline.

Molecular Properties

Compound Name2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
PubChem CID63973249
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
SMILESCOCC1CCN(S(=O)(=O)c2cc(N)c(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2O3S/c1-20-8-9-2-4-17(5-3-9)21(18,19)13-7-12(16)10(14)6-11(13)15/h6-7,9H,2-5,8,16H2,1H3
InChIKeyJXGLAFYOJUEUSB-UHFFFAOYSA-N
XLogP1.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline 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

4-chloro-2-fluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 63973442
4-bromo-3-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 65206653
2-bromo-4-fluoro-5-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 116529643
[1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol
CID 107213160
1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63978614
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
2-bromo-5-(4-ethylazepan-1-yl)sulfonyl-4-fluoroaniline
CID 116530384
[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963938
1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 61110983
(5-amino-2,4-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568795
2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-methylaniline
CID 63971698
1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-3-(methoxymethyl)pyrrolidine
CID 105118400

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline?
The IUPAC name of 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline (CID 63973249) is 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline.
What is the SMILES notation for 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline?
The canonical SMILES for 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline is COCC1CCN(S(=O)(=O)c2cc(N)c(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline?
The InChIKey is JXGLAFYOJUEUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-20-8-9-2-4-17(5-3-9)21(18,19)13-7-12(16)10(14)6-11(13)15/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline?
2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline has a molecular weight of 320.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline is sourced from PubChem (CID 63973249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).