N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide

C12H17FN2O3S — CID 43246651

IUPACN-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H17FN2O3S/c1-12(2,3)7-11(16)15-10-5-4-8(6-9(10)13)19(14,17)18/h4-6H,7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyOOXXSBQWIAAIKN-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.85
Rot. Bonds3

About N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide

N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide (PubChem CID 43246651) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
PubChem CID43246651
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H17FN2O3S/c1-12(2,3)7-11(16)15-10-5-4-8(6-9(10)13)19(14,17)18/h4-6H,7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyOOXXSBQWIAAIKN-UHFFFAOYSA-N
XLogP1.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate
CID 10808548
3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
CID 55091208
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide
CID 107849521
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66180002
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide (CID 43246651) is N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide?
The InChIKey is OOXXSBQWIAAIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-12(2,3)7-11(16)15-10-5-4-8(6-9(10)13)19(14,17)18/h4-6H,7H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide?
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide has a molecular weight of 288.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 43246651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).