5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide

C13H18BrFN2O3S — CID 65387477

IUPAC5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide
SMILESCN(CC(C)(C)C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H18BrFN2O3S/c1-13(2,3)7-17(4)12(18)9-5-8(14)6-10(11(9)15)21(16,19)20/h5-6H,7H2,1-4H3,(H2,16,19,20)
InChIKeyZJHKXVNCFFKTHI-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.35
Rot. Bonds3

About 5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide

5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide (PubChem CID 65387477) has the molecular formula C13H18BrFN2O3S and a molecular weight of 381.27 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide
PubChem CID65387477
Molecular FormulaC13H18BrFN2O3S
Molecular Weight381.27 g/mol
Exact Mass380.02
IUPAC Name5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide
SMILESCN(CC(C)(C)C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H18BrFN2O3S/c1-13(2,3)7-17(4)12(18)9-5-8(14)6-10(11(9)15)21(16,19)20/h5-6H,7H2,1-4H3,(H2,16,19,20)
InChIKeyZJHKXVNCFFKTHI-UHFFFAOYSA-N
XLogP2.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide
CID 65373691
5-bromo-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65387143
propyl 5-bromo-2-fluoro-3-sulfamoylbenzoate
CID 65382220
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
CID 62187326
5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide
CID 65388620
2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide
CID 65387387
2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 65388013
5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
CID 65387443
2,5-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387583
N-(1-aminopropan-2-yl)-5-bromo-2-fluoro-N-methyl-3-methylsulfonylbenzamide
CID 119583669
N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65389043
5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65386494

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide (CID 65387477) is 5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide is CN(CC(C)(C)C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1F.
What is the InChIKey of 5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide?
The InChIKey is ZJHKXVNCFFKTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O3S/c1-13(2,3)7-17(4)12(18)9-5-8(14)6-10(11(9)15)21(16,19)20/h5-6H,7H2,1-4H3,(H2,16,19,20).
What are the key properties of 5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide?
5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide has a molecular weight of 381.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65387477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).