5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

C10H6BrFN2O4S2 — CID 107596866

IUPAC5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C10H6BrFN2O4S2/c11-5-2-1-3-6(12)7(5)14-20(17,18)10-8(9(15)16)13-4-19-10/h1-4,14H,(H,15,16)
InChIKeyCZEVXGIJUTYJRW-UHFFFAOYSA-N
MW381.20 g/mol
LogP2.54
Rot. Bonds4

About 5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 107596866) has the molecular formula C10H6BrFN2O4S2 and a molecular weight of 381.20 g/mol. Its IUPAC name is 5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID107596866
Molecular FormulaC10H6BrFN2O4S2
Molecular Weight381.20 g/mol
Exact Mass379.89
IUPAC Name5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C10H6BrFN2O4S2/c11-5-2-1-3-6(12)7(5)14-20(17,18)10-8(9(15)16)13-4-19-10/h1-4,14H,(H,15,16)
InChIKeyCZEVXGIJUTYJRW-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

5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104722427
5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107797211
5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104617669
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 107596854
5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107216109
5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104617510
5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107215379
5-acetyl-2-(2-bromo-6-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 107604321
N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106089648
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
CID 107602659

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 107596866) is 5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1S(=O)(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CZEVXGIJUTYJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O4S2/c11-5-2-1-3-6(12)7(5)14-20(17,18)10-8(9(15)16)13-4-19-10/h1-4,14H,(H,15,16).
What are the key properties of 5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic 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-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107596866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).