3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid

C14H11N3O5S — CID 2100651

IUPAC3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C14H11N3O5S/c18-13(19)8-2-1-3-10(6-8)23(21,22)17-9-4-5-11-12(7-9)16-14(20)15-11/h1-7,17H,(H,18,19)(H2,15,16,20)
InChIKeyQDFDEXAHWHFNPR-UHFFFAOYSA-N
MW333.33 g/mol
LogP1.36
Rot. Bonds4

About 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid

3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid (PubChem CID 2100651) has the molecular formula C14H11N3O5S and a molecular weight of 333.33 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid
PubChem CID2100651
Molecular FormulaC14H11N3O5S
Molecular Weight333.33 g/mol
Exact Mass333.04
IUPAC Name3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C14H11N3O5S/c18-13(19)8-2-1-3-10(6-8)23(21,22)17-9-4-5-11-12(7-9)16-14(20)15-11/h1-7,17H,(H,18,19)(H2,15,16,20)
InChIKeyQDFDEXAHWHFNPR-UHFFFAOYSA-N
XLogP1.36
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid (CID 2100651) is 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid?
The InChIKey is QDFDEXAHWHFNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S/c18-13(19)8-2-1-3-10(6-8)23(21,22)17-9-4-5-11-12(7-9)16-14(20)15-11/h1-7,17H,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid?
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid has a molecular weight of 333.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2100651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).