3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid

C14H11N3O4S — CID 35395863

IUPAC3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H11N3O4S/c18-13(19)9-4-3-5-10(8-9)22(20,21)17-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H,18,19)(H2,15,16,17)
InChIKeyCLPLSYMCYPMZOK-UHFFFAOYSA-N
MW317.33 g/mol
LogP2.06
Rot. Bonds4

About 3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid

3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid (PubChem CID 35395863) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid
PubChem CID35395863
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Name3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H11N3O4S/c18-13(19)9-4-3-5-10(8-9)22(20,21)17-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H,18,19)(H2,15,16,17)
InChIKeyCLPLSYMCYPMZOK-UHFFFAOYSA-N
XLogP2.06
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid (CID 35395863) is 3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid?
The InChIKey is CLPLSYMCYPMZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c18-13(19)9-4-3-5-10(8-9)22(20,21)17-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H,18,19)(H2,15,16,17).
What are the key properties of 3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid?
3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid has a molecular weight of 317.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 35395863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).