5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C10H10BrFN2O5S — CID 43310526

IUPAC5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F
InChIInChI=1S/C10H10BrFN2O5S/c1-13-8(15)4-14-20(18,19)7-3-5(11)2-6(9(7)12)10(16)17/h2-3,14H,4H2,1H3,(H,13,15)(H,16,17)
InChIKeyYGCMBKSDGREFBP-UHFFFAOYSA-N
MW369.17 g/mol
LogP0.31
Rot. Bonds5

About 5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 43310526) has the molecular formula C10H10BrFN2O5S and a molecular weight of 369.17 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID43310526
Molecular FormulaC10H10BrFN2O5S
Molecular Weight369.17 g/mol
Exact Mass367.95
IUPAC Name5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F
InChIInChI=1S/C10H10BrFN2O5S/c1-13-8(15)4-14-20(18,19)7-3-5(11)2-6(9(7)12)10(16)17/h2-3,14H,4H2,1H3,(H,13,15)(H,16,17)
InChIKeyYGCMBKSDGREFBP-UHFFFAOYSA-N
XLogP0.31
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 43310526) is 5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CNC(=O)CNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is YGCMBKSDGREFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O5S/c1-13-8(15)4-14-20(18,19)7-3-5(11)2-6(9(7)12)10(16)17/h2-3,14H,4H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 369.17 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 43310526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).