5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

C10H6BrFN2O4S2 — CID 43323216

IUPAC5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)Nc2nccs2)c1F
InChIInChI=1S/C10H6BrFN2O4S2/c11-5-3-6(9(15)16)8(12)7(4-5)20(17,18)14-10-13-1-2-19-10/h1-4H,(H,13,14)(H,15,16)
InChIKeyHZDJJUBHIMLSDJ-UHFFFAOYSA-N
MW381.20 g/mol
LogP2.54
Rot. Bonds4

About 5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (PubChem CID 43323216) has the molecular formula C10H6BrFN2O4S2 and a molecular weight of 381.20 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
PubChem CID43323216
Molecular FormulaC10H6BrFN2O4S2
Molecular Weight381.20 g/mol
Exact Mass379.89
IUPAC Name5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)Nc2nccs2)c1F
InChIInChI=1S/C10H6BrFN2O4S2/c11-5-3-6(9(15)16)8(12)7(4-5)20(17,18)14-10-13-1-2-19-10/h1-4H,(H,13,14)(H,15,16)
InChIKeyHZDJJUBHIMLSDJ-UHFFFAOYSA-N
XLogP2.54
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 43323944
5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
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2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
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2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
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5-bromo-2-fluoro-3-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 43665893
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 71972231
3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
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2-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87483084
5-bromo-2-fluoro-3-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 104759163
5-bromo-2-fluoro-3-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 43714240

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (CID 43323216) is 5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is O=C(O)c1cc(Br)cc(S(=O)(=O)Nc2nccs2)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The InChIKey is HZDJJUBHIMLSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O4S2/c11-5-3-6(9(15)16)8(12)7(4-5)20(17,18)14-10-13-1-2-19-10/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid has a molecular weight of 381.20 g/mol, XLogP of 2.54, 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-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43323216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).