5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid

C11H9BrN2O5S2 — CID 60784641

IUPAC5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ncc(Br)s2)cc1C(=O)O
InChIInChI=1S/C11H9BrN2O5S2/c1-19-8-3-2-6(4-7(8)10(15)16)21(17,18)14-11-13-5-9(12)20-11/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyWQHOGTRTAPEASH-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.41
Rot. Bonds5

About 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid

5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid (PubChem CID 60784641) has the molecular formula C11H9BrN2O5S2 and a molecular weight of 393.24 g/mol. Its IUPAC name is 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
PubChem CID60784641
Molecular FormulaC11H9BrN2O5S2
Molecular Weight393.24 g/mol
Exact Mass391.91
IUPAC Name5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ncc(Br)s2)cc1C(=O)O
InChIInChI=1S/C11H9BrN2O5S2/c1-19-8-3-2-6(4-7(8)10(15)16)21(17,18)14-11-13-5-9(12)20-11/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyWQHOGTRTAPEASH-UHFFFAOYSA-N
XLogP2.41
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 43323984
2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387105
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920069
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
CID 107649952
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005779
2-methoxy-5-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfamoyl]benzoic acid
CID 86786581
5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812265
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 60785742

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid (CID 60784641) is 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid is COc1ccc(S(=O)(=O)Nc2ncc(Br)s2)cc1C(=O)O.
What is the InChIKey of 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is WQHOGTRTAPEASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O5S2/c1-19-8-3-2-6(4-7(8)10(15)16)21(17,18)14-11-13-5-9(12)20-11/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid?
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 393.24 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 60784641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).