4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid

C13H12N2O5S — CID 108871359

IUPAC4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid
SMILESO=C(Nc1ccc(S(=O)(=O)O)cc1)Nc1ccccc1O
InChIInChI=1S/C13H12N2O5S/c16-12-4-2-1-3-11(12)15-13(17)14-9-5-7-10(8-6-9)21(18,19)20/h1-8,16H,(H2,14,15,17)(H,18,19,20)
InChIKeyQGEYGOPOZBQVFJ-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.28
Rot. Bonds3

About 4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid

4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid (PubChem CID 108871359) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid
PubChem CID108871359
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid
SMILESO=C(Nc1ccc(S(=O)(=O)O)cc1)Nc1ccccc1O
InChIInChI=1S/C13H12N2O5S/c16-12-4-2-1-3-11(12)15-13(17)14-9-5-7-10(8-6-9)21(18,19)20/h1-8,16H,(H2,14,15,17)(H,18,19,20)
InChIKeyQGEYGOPOZBQVFJ-UHFFFAOYSA-N
XLogP2.28
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 71414128
4-(methylcarbamoylamino)benzenesulfonic acid
CID 58709255
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
N-(2-hydroxyphenyl)-4-(phenylcarbamoylamino)benzamide
CID 46665388
4-(benzhydrylcarbamoylamino)benzenesulfonic acid
CID 108867379
[4-[(2-hydroxyphenyl)carbamoylamino]phenyl] thiocyanate
CID 108871509
2-hydroxy-4-[[4-[[4-[(3-hydroxy-4-sulfonaphthalen-1-yl)sulfamoyl]phenyl]carbamoylamino]phenyl]sulfonylamino]naphthalene-1-sulfonic acid
CID 23314380
Sodium 4-sulfophenylurea
CID 87590877
4-acetamidobenzenesulfonic acid chloride
CID 53446633
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid
CID 155294955
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid?
The IUPAC name of 4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid (CID 108871359) is 4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid.
What is the SMILES notation for 4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid?
The canonical SMILES for 4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid is O=C(Nc1ccc(S(=O)(=O)O)cc1)Nc1ccccc1O.
What is the InChIKey of 4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid?
The InChIKey is QGEYGOPOZBQVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c16-12-4-2-1-3-11(12)15-13(17)14-9-5-7-10(8-6-9)21(18,19)20/h1-8,16H,(H2,14,15,17)(H,18,19,20).
What are the key properties of 4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid?
4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid has a molecular weight of 308.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid is sourced from PubChem (CID 108871359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).