2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide

C12H15F2NO3S — CID 79550157

IUPAC2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(F)c1F)S(C)(=O)=O
InChIInChI=1S/C12H15F2NO3S/c1-12(2,19(3,17)18)7-15-11(16)8-5-4-6-9(13)10(8)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeySBVVAVTWCRJCOQ-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.52
Rot. Bonds4

About 2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide

2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide (PubChem CID 79550157) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
PubChem CID79550157
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(F)c1F)S(C)(=O)=O
InChIInChI=1S/C12H15F2NO3S/c1-12(2,19(3,17)18)7-15-11(16)8-5-4-6-9(13)10(8)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeySBVVAVTWCRJCOQ-UHFFFAOYSA-N
XLogP1.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide
CID 62660764
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551334
4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 103830101
N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide
CID 79558263
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide (CID 79550157) is 2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide is CC(C)(CNC(=O)c1cccc(F)c1F)S(C)(=O)=O.
What is the InChIKey of 2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The InChIKey is SBVVAVTWCRJCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-12(2,19(3,17)18)7-15-11(16)8-5-4-6-9(13)10(8)14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide has a molecular weight of 291.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 79550157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).