N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide

C12H17FN2O3S — CID 62677323

IUPACN-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-4-12(2,3)11(16)15-10-7-8(19(14,17)18)5-6-9(10)13/h5-7H,4H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyTYAZVMLODWKGMC-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.85
Rot. Bonds4

About N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide

N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide (PubChem CID 62677323) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide
PubChem CID62677323
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-4-12(2,3)11(16)15-10-7-8(19(14,17)18)5-6-9(10)13/h5-7H,4H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyTYAZVMLODWKGMC-UHFFFAOYSA-N
XLogP1.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
CID 61129990
N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876358
N-(2-fluoro-5-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476009
N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
CID 62588775
N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61129999
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide
CID 79797019
tert-butyl N-(2-fluoro-5-methylsulfonylphenyl)carbamate
CID 65143064
N-(2-fluoro-5-sulfamoylphenyl)-2-methylbenzamide
CID 61129789

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide (CID 62677323) is N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide?
The InChIKey is TYAZVMLODWKGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-4-12(2,3)11(16)15-10-7-8(19(14,17)18)5-6-9(10)13/h5-7H,4H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide?
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide has a molecular weight of 288.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 62677323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).