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

C13H11NO5S — CID 25035947

IUPAC4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C13H11NO5S/c15-11-3-1-2-10(8-11)14-20(18,19)12-6-4-9(5-7-12)13(16)17/h1-8,14-15H,(H,16,17)
InChIKeyYLLYFHQBPXDHGE-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.89
Rot. Bonds4

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

4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid (PubChem CID 25035947) has the molecular formula C13H11NO5S and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
PubChem CID25035947
Molecular FormulaC13H11NO5S
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C13H11NO5S/c15-11-3-1-2-10(8-11)14-20(18,19)12-6-4-9(5-7-12)13(16)17/h1-8,14-15H,(H,16,17)
InChIKeyYLLYFHQBPXDHGE-UHFFFAOYSA-N
XLogP1.89
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678
4-[[3-(diphenylphosphorylmethyl)phenyl]sulfamoyl]benzoic acid
CID 2041723
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide
CID 110454372

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid (CID 25035947) is 4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1.
What is the InChIKey of 4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is YLLYFHQBPXDHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5S/c15-11-3-1-2-10(8-11)14-20(18,19)12-6-4-9(5-7-12)13(16)17/h1-8,14-15H,(H,16,17).
What are the key properties of 4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid?
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 293.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 25035947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).