5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide

C14H19F2NO3S — CID 58961087

IUPAC5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)C(C)(C)C)c(F)cc1F
InChIInChI=1S/C14H19F2NO3S/c1-8(2)17-21(19,20)12-6-9(10(15)7-11(12)16)13(18)14(3,4)5/h6-8,17H,1-5H3
InChIKeyVILCWEFSYKLBKS-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.88
Rot. Bonds4

About 5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide

5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide (PubChem CID 58961087) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide
PubChem CID58961087
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)C(C)(C)C)c(F)cc1F
InChIInChI=1S/C14H19F2NO3S/c1-8(2)17-21(19,20)12-6-9(10(15)7-11(12)16)13(18)14(3,4)5/h6-8,17H,1-5H3
InChIKeyVILCWEFSYKLBKS-UHFFFAOYSA-N
XLogP2.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 60660783
2-chloro-5-(2,2-dimethylpropanoyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 58960986
5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid
CID 68676666
2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide
CID 142910750
2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63199010
3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide
CID 138059785
2-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 122068118
4-fluoro-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43084932
N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide
CID 90075291
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propan-2-ylbenzenesulfonamide
CID 116528902
5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 105118065
N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide
CID 65375638

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide (CID 58961087) is 5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1cc(C(=O)C(C)(C)C)c(F)cc1F.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VILCWEFSYKLBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-8(2)17-21(19,20)12-6-9(10(15)7-11(12)16)13(18)14(3,4)5/h6-8,17H,1-5H3.
What are the key properties of 5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide?
5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 319.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 58961087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).