2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide

C12H16F2N2O3S — CID 79551334

IUPAC2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(F)c(F)cc1N)S(C)(=O)=O
InChIInChI=1S/C12H16F2N2O3S/c1-12(2,20(3,18)19)6-16-11(17)7-4-8(13)9(14)5-10(7)15/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyZBGYWVJBNUFJDI-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide

2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide (PubChem CID 79551334) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
PubChem CID79551334
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(F)c(F)cc1N)S(C)(=O)=O
InChIInChI=1S/C12H16F2N2O3S/c1-12(2,20(3,18)19)6-16-11(17)7-4-8(13)9(14)5-10(7)15/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyZBGYWVJBNUFJDI-UHFFFAOYSA-N
XLogP1.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.10
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

6-amino-N-(2-methyl-2-methylsulfonylpropyl)-1,3-benzodioxole-5-carboxamide
CID 103543266
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550157
4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 103830101
4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551946
2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106180006
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79555934
2-amino-4,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 106118883
2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
CID 65039606
2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63983038
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide
CID 114152397

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide (CID 79551334) is 2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide is CC(C)(CNC(=O)c1cc(F)c(F)cc1N)S(C)(=O)=O.
What is the InChIKey of 2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The InChIKey is ZBGYWVJBNUFJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-12(2,20(3,18)19)6-16-11(17)7-4-8(13)9(14)5-10(7)15/h4-5H,6,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide has a molecular weight of 306.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 79551334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).