3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid

C19H15NO5S — CID 2442655

IUPAC3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C19H15NO5S/c21-19(22)14-5-4-8-18(13-14)26(23,24)20-15-9-11-17(12-10-15)25-16-6-2-1-3-7-16/h1-13,20H,(H,21,22)
InChIKeyQXNJZFDGPYJDDG-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.98
Rot. Bonds6

About 3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid

3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2442655) has the molecular formula C19H15NO5S and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2442655
Molecular FormulaC19H15NO5S
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C19H15NO5S/c21-19(22)14-5-4-8-18(13-14)26(23,24)20-15-9-11-17(12-10-15)25-16-6-2-1-3-7-16/h1-13,20H,(H,21,22)
InChIKeyQXNJZFDGPYJDDG-UHFFFAOYSA-N
XLogP3.98
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid (CID 2442655) is 3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is QXNJZFDGPYJDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5S/c21-19(22)14-5-4-8-18(13-14)26(23,24)20-15-9-11-17(12-10-15)25-16-6-2-1-3-7-16/h1-13,20H,(H,21,22).
What are the key properties of 3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid?
3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 369.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2442655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).