2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide

C11H14BrFN2O4S — CID 102701174

IUPAC2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide
SMILESCOC(C)CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br
InChIInChI=1S/C11H14BrFN2O4S/c1-6(19-2)5-15-11(16)8-3-7(13)4-9(10(8)12)20(14,17)18/h3-4,6H,5H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyKCCUMYOKPIHORG-UHFFFAOYSA-N
MW369.21 g/mol
LogP1.00
Rot. Bonds5

About 2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide

2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide (PubChem CID 102701174) has the molecular formula C11H14BrFN2O4S and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide
PubChem CID102701174
Molecular FormulaC11H14BrFN2O4S
Molecular Weight369.21 g/mol
Exact Mass367.98
IUPAC Name2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide
SMILESCOC(C)CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br
InChIInChI=1S/C11H14BrFN2O4S/c1-6(19-2)5-15-11(16)8-3-7(13)4-9(10(8)12)20(14,17)18/h3-4,6H,5H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyKCCUMYOKPIHORG-UHFFFAOYSA-N
XLogP1.00
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide
CID 115764551
2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 63931433
4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 102701096
4-methylpentan-2-yl 2-bromo-5-fluoro-3-sulfamoylbenzoate
CID 65380038
2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
CID 65387490
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
2-bromo-N-(2,2-dimethylcyclopropyl)-5-fluoro-3-sulfamoylbenzamide
CID 63932506
2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide
CID 95763345
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 63932911

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide (CID 102701174) is 2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide is COC(C)CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide?
The InChIKey is KCCUMYOKPIHORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O4S/c1-6(19-2)5-15-11(16)8-3-7(13)4-9(10(8)12)20(14,17)18/h3-4,6H,5H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide?
2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide has a molecular weight of 369.21 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 102701174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).