5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide

C14H11BrN4O4S — CID 130406142

IUPAC5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc(Br)c1O
InChIInChI=1S/C14H11BrN4O4S/c15-10-5-8(4-9(13(10)20)14(16)21)24(22,23)19-7-1-2-11-12(3-7)18-6-17-11/h1-6,19-20H,(H2,16,21)(H,17,18)
InChIKeyUDUAQGCDWCSYGD-UHFFFAOYSA-N
MW411.24 g/mol
LogP1.93
Rot. Bonds4

About 5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide

5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide (PubChem CID 130406142) has the molecular formula C14H11BrN4O4S and a molecular weight of 411.24 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide
PubChem CID130406142
Molecular FormulaC14H11BrN4O4S
Molecular Weight411.24 g/mol
Exact Mass409.97
IUPAC Name5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc(Br)c1O
InChIInChI=1S/C14H11BrN4O4S/c15-10-5-8(4-9(13(10)20)14(16)21)24(22,23)19-7-1-2-11-12(3-7)18-6-17-11/h1-6,19-20H,(H2,16,21)(H,17,18)
InChIKeyUDUAQGCDWCSYGD-UHFFFAOYSA-N
XLogP1.93
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.24
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
CID 130406096
5-(3H-benzimidazol-5-ylsulfamoyl)-3-fluoro-2-hydroxybenzamide
CID 130406127
5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
CID 130406172
5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
CID 130406189
5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide
CID 130406342
1H-benzimidazol-3-ium;3-carboxy-4-hydroxybenzenesulfonate
CID 139197035
5-(3H-benzimidazol-5-ylsulfamoyl)-3-chloro-2-hydroxybenzamide
CID 130406138
5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide
CID 130406147
5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxybenzamide
CID 130406204
5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide
CID 130406227
2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide
CID 130406259
5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
CID 130406279

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide?
The IUPAC name of 5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide (CID 130406142) is 5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide.
What is the SMILES notation for 5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide?
The canonical SMILES for 5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide is NC(=O)c1cc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc(Br)c1O.
What is the InChIKey of 5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide?
The InChIKey is UDUAQGCDWCSYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O4S/c15-10-5-8(4-9(13(10)20)14(16)21)24(22,23)19-7-1-2-11-12(3-7)18-6-17-11/h1-6,19-20H,(H2,16,21)(H,17,18).
What are the key properties of 5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide?
5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide has a molecular weight of 411.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-ylsulfamoyl)-3-bromo-2-hydroxybenzamide is sourced from PubChem (CID 130406142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).