5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid

C11H8BrFN2O4S2 — CID 43323958

IUPAC5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
SMILESCc1csc(NS(=O)(=O)c2cc(Br)cc(C(=O)O)c2F)n1
InChIInChI=1S/C11H8BrFN2O4S2/c1-5-4-20-11(14-5)15-21(18,19)8-3-6(12)2-7(9(8)13)10(16)17/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyHWBIEAKSCPMIRM-UHFFFAOYSA-N
MW395.23 g/mol
LogP2.85
Rot. Bonds4

About 5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid

5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid (PubChem CID 43323958) has the molecular formula C11H8BrFN2O4S2 and a molecular weight of 395.23 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
PubChem CID43323958
Molecular FormulaC11H8BrFN2O4S2
Molecular Weight395.23 g/mol
Exact Mass393.91
IUPAC Name5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
SMILESCc1csc(NS(=O)(=O)c2cc(Br)cc(C(=O)O)c2F)n1
InChIInChI=1S/C11H8BrFN2O4S2/c1-5-4-20-11(14-5)15-21(18,19)8-3-6(12)2-7(9(8)13)10(16)17/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyHWBIEAKSCPMIRM-UHFFFAOYSA-N
XLogP2.85
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid (CID 43323958) is 5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid is Cc1csc(NS(=O)(=O)c2cc(Br)cc(C(=O)O)c2F)n1.
What is the InChIKey of 5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The InChIKey is HWBIEAKSCPMIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O4S2/c1-5-4-20-11(14-5)15-21(18,19)8-3-6(12)2-7(9(8)13)10(16)17/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid has a molecular weight of 395.23 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43323958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).