3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide

C11H14F2N2O3S — CID 107121238

IUPAC3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C11H14F2N2O3S/c1-15(3-4-19(2,17)18)11(16)8-5-7(12)6-9(14)10(8)13/h5-6H,3-4,14H2,1-2H3
InChIKeyQHGUMMULUWWVAW-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.66
Rot. Bonds4

About 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide

3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 107121238) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID107121238
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C11H14F2N2O3S/c1-15(3-4-19(2,17)18)11(16)8-5-7(12)6-9(14)10(8)13/h5-6H,3-4,14H2,1-2H3
InChIKeyQHGUMMULUWWVAW-UHFFFAOYSA-N
XLogP0.66
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide 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

3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
CID 107121456
5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79844796
3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 107120734
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107075641
2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 65388013
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 107120689
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride
CID 79846258
3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 107120541

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide (CID 107121238) is 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide is CN(CCS(C)(=O)=O)C(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is QHGUMMULUWWVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-15(3-4-19(2,17)18)11(16)8-5-7(12)6-9(14)10(8)13/h5-6H,3-4,14H2,1-2H3.
What are the key properties of 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 292.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 107121238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).