3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide

C12H15F2NO3S — CID 58961149

IUPAC3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)C(C)(C)C)c1F
InChIInChI=1S/C12H15F2NO3S/c1-12(2,3)11(16)9-7(13)5-6-8(10(9)14)19(17,18)15-4/h5-6,15H,1-4H3
InChIKeyJTDUOHQJHUDHRS-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.10
Rot. Bonds3

About 3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide

3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 58961149) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID58961149
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)C(C)(C)C)c1F
InChIInChI=1S/C12H15F2NO3S/c1-12(2,3)11(16)9-7(13)5-6-8(10(9)14)19(17,18)15-4/h5-6,15H,1-4H3
InChIKeyJTDUOHQJHUDHRS-UHFFFAOYSA-N
XLogP2.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-3-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61404116
3,4-difluoro-5-(methylsulfamoyl)benzoic acid
CID 105111222
3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 65372559
2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 170112817
N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide
CID 70931231
2,6-difluoro-3-(hexan-2-ylsulfamoyl)benzoic acid
CID 62199651
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
2-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 162420977
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid
CID 30054012
4-chloro-N-cyclopentyl-5-(2,2-dimethylpropanoyl)-2-fluorobenzenesulfonamide;4-chloro-N-cyclopropyl-5-(2,2-dimethylpropanoyl)-2-fluorobenzenesulfonamide;4-chloro-5-(2,2-dimethylpropanoyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide;N-cyclopropyl-3-(2,2-dimethylpropanoyl)-4-fluorobenzenesulfonamide;3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide;3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide;3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propylbenzenesulfonamide;3-(2,2-dimethylpropanoyl)-N-ethyl-2,4-difluorobenzenesulfonamide;3-(2,2-dimethylpropanoyl)-N-ethyl-4-fluorobenzenesulfonamide;3-(2,2-dimethylpropanoyl)-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 162041289
3-chlorosulfonyl-2,6-difluorobenzoic acid
CID 3304796

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide (CID 58961149) is 3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(F)c(C(=O)C(C)(C)C)c1F.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is JTDUOHQJHUDHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-12(2,3)11(16)9-7(13)5-6-8(10(9)14)19(17,18)15-4/h5-6,15H,1-4H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide?
3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 291.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 58961149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).