2-(difluoromethylsulfonyl)-6-methylaniline

C8H9F2NO2S — CID 78919841

IUPAC2-(difluoromethylsulfonyl)-6-methylaniline
SMILESCc1cccc(S(=O)(=O)C(F)F)c1N
InChIInChI=1S/C8H9F2NO2S/c1-5-3-2-4-6(7(5)11)14(12,13)8(9)10/h2-4,8H,11H2,1H3
InChIKeyQCSROILJQIOOMB-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.57
Rot. Bonds2

About 2-(difluoromethylsulfonyl)-6-methylaniline

2-(difluoromethylsulfonyl)-6-methylaniline (PubChem CID 78919841) has the molecular formula C8H9F2NO2S and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-6-methylaniline.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-6-methylaniline
PubChem CID78919841
Molecular FormulaC8H9F2NO2S
Molecular Weight221.23 g/mol
Exact Mass221.03
IUPAC Name2-(difluoromethylsulfonyl)-6-methylaniline
SMILESCc1cccc(S(=O)(=O)C(F)F)c1N
InChIInChI=1S/C8H9F2NO2S/c1-5-3-2-4-6(7(5)11)14(12,13)8(9)10/h2-4,8H,11H2,1H3
InChIKeyQCSROILJQIOOMB-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(difluoromethylsulfonyl)-6-methylaniline 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

Perfluidone
CID 37869
2-(Methylsulfonyl)-5-(trifluoromethyl)aniline
CID 2782732
2-(Ethylsulfonyl)-5-trifluoromethylaniline
CID 220598
Benzenamine, 2-methyl-5-[(trifluoromethyl)sulfonyl]-
CID 825453
2-Amino-3-methylbenzenesulfonamide
CID 12528492
2-Amino-5-(methylthio)benzotrifluoride
CID 13070055
2-Methanesulfonyl-3-methylaniline
CID 18446118
2-Fluoro-6-methanesulfonylaniline
CID 21161306
2-Methanesulfonyl-5-methylaniline
CID 43168855
3-Methanesulfonyl-5-(trifluoromethyl)aniline
CID 59286146
2-Methanesulfonyl-4-methylaniline
CID 79006183
N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4880810

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-6-methylaniline?
The IUPAC name of 2-(difluoromethylsulfonyl)-6-methylaniline (CID 78919841) is 2-(difluoromethylsulfonyl)-6-methylaniline.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-6-methylaniline?
The canonical SMILES for 2-(difluoromethylsulfonyl)-6-methylaniline is Cc1cccc(S(=O)(=O)C(F)F)c1N.
What is the InChIKey of 2-(difluoromethylsulfonyl)-6-methylaniline?
The InChIKey is QCSROILJQIOOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2S/c1-5-3-2-4-6(7(5)11)14(12,13)8(9)10/h2-4,8H,11H2,1H3.
What are the key properties of 2-(difluoromethylsulfonyl)-6-methylaniline?
2-(difluoromethylsulfonyl)-6-methylaniline has a molecular weight of 221.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-6-methylaniline is sourced from PubChem (CID 78919841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).