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

C14H11N3O5S — CID 978036

IUPAC2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11N3O5S/c18-13(19)9-3-1-2-4-10(9)17-23(21,22)8-5-6-11-12(7-8)16-14(20)15-11/h1-7,17H,(H,18,19)(H2,15,16,20)
InChIKeyPYZGHELWFCMXSN-UHFFFAOYSA-N
MW333.33 g/mol
LogP1.36
Rot. Bonds4

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

2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 978036) has the molecular formula C14H11N3O5S and a molecular weight of 333.33 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid
PubChem CID978036
Molecular FormulaC14H11N3O5S
Molecular Weight333.33 g/mol
Exact Mass333.04
IUPAC Name2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11N3O5S/c18-13(19)9-3-1-2-4-10(9)17-23(21,22)8-5-6-11-12(7-8)16-14(20)15-11/h1-7,17H,(H,18,19)(H2,15,16,20)
InChIKeyPYZGHELWFCMXSN-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 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid (CID 978036) is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid is O=C(O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is PYZGHELWFCMXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S/c18-13(19)9-3-1-2-4-10(9)17-23(21,22)8-5-6-11-12(7-8)16-14(20)15-11/h1-7,17H,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid?
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]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 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 978036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).