4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide

C18H16N2O3S — CID 110454372

IUPAC4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESNc1ccccc1-c1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C18H16N2O3S/c19-18-7-2-1-6-17(18)13-8-10-16(11-9-13)24(22,23)20-14-4-3-5-15(21)12-14/h1-12,20-21H,19H2
InChIKeyOPGVOLOQBMEWLT-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.44
Rot. Bonds4

About 4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide

4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 110454372) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID110454372
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESNc1ccccc1-c1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C18H16N2O3S/c19-18-7-2-1-6-17(18)13-8-10-16(11-9-13)24(22,23)20-14-4-3-5-15(21)12-14/h1-12,20-21H,19H2
InChIKeyOPGVOLOQBMEWLT-UHFFFAOYSA-N
XLogP3.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate
CID 23436602
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide (CID 110454372) is 4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide is Nc1ccccc1-c1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1.
What is the InChIKey of 4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is OPGVOLOQBMEWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c19-18-7-2-1-6-17(18)13-8-10-16(11-9-13)24(22,23)20-14-4-3-5-15(21)12-14/h1-12,20-21H,19H2.
What are the key properties of 4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide?
4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 110454372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).