5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide

C15H14N4O4S — CID 130406227

IUPAC5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc(C(N)=O)c1O
InChIInChI=1S/C15H14N4O4S/c1-8-4-10(6-11(14(8)20)15(16)21)24(22,23)19-9-2-3-12-13(5-9)18-7-17-12/h2-7,19-20H,1H3,(H2,16,21)(H,17,18)
InChIKeyIHIFNYJIFTYZIV-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.48
Rot. Bonds4

About 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide

5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide (PubChem CID 130406227) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide
PubChem CID130406227
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc(C(N)=O)c1O
InChIInChI=1S/C15H14N4O4S/c1-8-4-10(6-11(14(8)20)15(16)21)24(22,23)19-9-2-3-12-13(5-9)18-7-17-12/h2-7,19-20H,1H3,(H2,16,21)(H,17,18)
InChIKeyIHIFNYJIFTYZIV-UHFFFAOYSA-N
XLogP1.48
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide (CID 130406227) is 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide is Cc1cc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc(C(N)=O)c1O.
What is the InChIKey of 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is IHIFNYJIFTYZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-8-4-10(6-11(14(8)20)15(16)21)24(22,23)19-9-2-3-12-13(5-9)18-7-17-12/h2-7,19-20H,1H3,(H2,16,21)(H,17,18).
What are the key properties of 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide?
5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 346.37 g/mol, XLogP of 1.48, 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)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 130406227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).