5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide

C11H15FN2O3S — CID 79844796

IUPAC5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H15FN2O3S/c1-14(5-6-18(2,16)17)11(15)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyAXNVQHXMBIUGLY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.52
Rot. Bonds4

About 5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide

5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 79844796) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID79844796
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H15FN2O3S/c1-14(5-6-18(2,16)17)11(15)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyAXNVQHXMBIUGLY-UHFFFAOYSA-N
XLogP0.52
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79845719
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107121238
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79865248
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107075641
3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 79864806
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994795

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide (CID 79844796) is 5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide is CN(CCS(C)(=O)=O)C(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is AXNVQHXMBIUGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-14(5-6-18(2,16)17)11(15)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 79844796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).