3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide

C11H14F2N2O3S — CID 107121140

IUPAC3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C11H14F2N2O3S/c1-6(5-19(2,17)18)15-11(16)8-3-7(12)4-9(14)10(8)13/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyZGCUZGVCIXPALQ-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.71
Rot. Bonds4

About 3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide

3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide (PubChem CID 107121140) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
PubChem CID107121140
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C11H14F2N2O3S/c1-6(5-19(2,17)18)15-11(16)8-3-7(12)4-9(14)10(8)13/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyZGCUZGVCIXPALQ-UHFFFAOYSA-N
XLogP0.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,5-difluoro-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 107121447
methyl 2-[(3-amino-2,5-difluorobenzoyl)amino]propanoate
CID 107120864
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107120558
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 114145958
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107121548
3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64629768
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 64643080
3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107120653
4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
CID 119786700
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 105386606
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide (CID 107121140) is 3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide is CC(CS(C)(=O)=O)NC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide?
The InChIKey is ZGCUZGVCIXPALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-6(5-19(2,17)18)15-11(16)8-3-7(12)4-9(14)10(8)13/h3-4,6H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide?
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide has a molecular weight of 292.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide is sourced from PubChem (CID 107121140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).