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

C14H10ClN3O5S — CID 2100730

IUPAC4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C14H10ClN3O5S/c15-9-3-1-7(13(19)20)5-12(9)24(22,23)18-8-2-4-10-11(6-8)17-14(21)16-10/h1-6,18H,(H,19,20)(H2,16,17,21)
InChIKeyGBGQWWXXTJGABQ-UHFFFAOYSA-N
MW367.77 g/mol
LogP2.01
Rot. Bonds4

About 4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid

4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid (PubChem CID 2100730) has the molecular formula C14H10ClN3O5S and a molecular weight of 367.77 g/mol. Its IUPAC name is 4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid
PubChem CID2100730
Molecular FormulaC14H10ClN3O5S
Molecular Weight367.77 g/mol
Exact Mass367.00
IUPAC Name4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C14H10ClN3O5S/c15-9-3-1-7(13(19)20)5-12(9)24(22,23)18-8-2-4-10-11(6-8)17-14(21)16-10/h1-6,18H,(H,19,20)(H2,16,17,21)
InChIKeyGBGQWWXXTJGABQ-UHFFFAOYSA-N
XLogP2.01
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid (CID 2100730) is 4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid is O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid?
The InChIKey is GBGQWWXXTJGABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O5S/c15-9-3-1-7(13(19)20)5-12(9)24(22,23)18-8-2-4-10-11(6-8)17-14(21)16-10/h1-6,18H,(H,19,20)(H2,16,17,21).
What are the key properties of 4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid?
4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid has a molecular weight of 367.77 g/mol, XLogP of 2.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2100730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).