2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid

C21H17NO5S — CID 166033666

IUPAC2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1cc(/C=C/c2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1O
InChIInChI=1S/C21H17NO5S/c23-20-13-10-16(14-19(20)21(24)25)7-6-15-8-11-18(12-9-15)28(26,27)22-17-4-2-1-3-5-17/h1-14,22-23H,(H,24,25)/b7-6+
InChIKeyUTTBDJSRIZWFLG-VOTSOKGWSA-N
MW395.44 g/mol
LogP4.06
Rot. Bonds6

About 2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid

2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid (PubChem CID 166033666) has the molecular formula C21H17NO5S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid
PubChem CID166033666
Molecular FormulaC21H17NO5S
Molecular Weight395.44 g/mol
Exact Mass395.08
IUPAC Name2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1cc(/C=C/c2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1O
InChIInChI=1S/C21H17NO5S/c23-20-13-10-16(14-19(20)21(24)25)7-6-15-8-11-18(12-9-15)28(26,27)22-17-4-2-1-3-5-17/h1-14,22-23H,(H,24,25)/b7-6+
InChIKeyUTTBDJSRIZWFLG-VOTSOKGWSA-N
XLogP4.06
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-hydroxy-5-[2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]ethenyl]benzoic acid
CID 54569231
2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid
CID 72695676
5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide
CID 6366416
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406207
5-[2-[4-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]naphthalen-1-yl]ethenyl]-2-hydroxybenzoic acid
CID 54009413
5-[[3-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406327
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
3-[[4-[(E)-2-carboxyethenyl]phenyl]sulfonylamino]benzoic acid
CID 673258

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid (CID 166033666) is 2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid is O=C(O)c1cc(/C=C/c2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid?
The InChIKey is UTTBDJSRIZWFLG-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H17NO5S/c23-20-13-10-16(14-19(20)21(24)25)7-6-15-8-11-18(12-9-15)28(26,27)22-17-4-2-1-3-5-17/h1-14,22-23H,(H,24,25)/b7-6+.
What are the key properties of 2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid?
2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid has a molecular weight of 395.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid is sourced from PubChem (CID 166033666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).