2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid

C14H13NO6S — CID 57476934

IUPAC2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid
SMILESCON(c1ccccc1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H13NO6S/c1-21-15(10-5-3-2-4-6-10)22(19,20)11-7-8-13(16)12(9-11)14(17)18/h2-9,16H,1H3,(H,17,18)
InChIKeyKNJHCSZYCMIYQE-UHFFFAOYSA-N
MW323.33 g/mol
LogP1.85
Rot. Bonds5

About 2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid

2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid (PubChem CID 57476934) has the molecular formula C14H13NO6S and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid
PubChem CID57476934
Molecular FormulaC14H13NO6S
Molecular Weight323.33 g/mol
Exact Mass323.05
IUPAC Name2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid
SMILESCON(c1ccccc1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H13NO6S/c1-21-15(10-5-3-2-4-6-10)22(19,20)11-7-8-13(16)12(9-11)14(17)18/h2-9,16H,1H3,(H,17,18)
InChIKeyKNJHCSZYCMIYQE-UHFFFAOYSA-N
XLogP1.85
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-phenylbenzenesulfonamide
CID 10801496
ethane;2-hydroxy-5-sulfobenzoic acid
CID 143907682
2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63983665
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid
CID 54876183
5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 43273626
N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide
CID 166448950
disodium;hydride;2-hydroxy-5-sulfobenzoic acid
CID 173215805
CID 173341839
CID 173341839
5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid
CID 63697925
3-carboxy-4-hydroxybenzenesulfonate;dimethyl(phenyl)azanium
CID 171378099
sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride
CID 175438165
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid (CID 57476934) is 2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid is CON(c1ccccc1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid?
The InChIKey is KNJHCSZYCMIYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6S/c1-21-15(10-5-3-2-4-6-10)22(19,20)11-7-8-13(16)12(9-11)14(17)18/h2-9,16H,1H3,(H,17,18).
What are the key properties of 2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid?
2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid has a molecular weight of 323.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 57476934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).