4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid

C20H18N2O6S — CID 175181066

IUPAC4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid
SMILESCOc1ccc(-c2cccc(N)c2)cc1S(=O)(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C20H18N2O6S/c1-28-18-8-5-13(12-3-2-4-14(21)9-12)10-19(18)29(26,27)22-15-6-7-16(20(24)25)17(23)11-15/h2-11,22-23H,21H2,1H3,(H,24,25)
InChIKeyJILHJDKQVKLEBT-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.15
Rot. Bonds6

About 4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid

4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 175181066) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid
PubChem CID175181066
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Name4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid
SMILESCOc1ccc(-c2cccc(N)c2)cc1S(=O)(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C20H18N2O6S/c1-28-18-8-5-13(12-3-2-4-14(21)9-12)10-19(18)29(26,27)22-15-6-7-16(20(24)25)17(23)11-15/h2-11,22-23H,21H2,1H3,(H,24,25)
InChIKeyJILHJDKQVKLEBT-UHFFFAOYSA-N
XLogP3.15
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596202
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
2-hydroxy-4-[[3-[4-(methoxycarbonylamino)phenyl]phenyl]sulfonylamino]benzoic acid
CID 56596050
2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 56595847
5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 29267050
N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098163
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
CID 43124455
3-[4-methoxy-3-[[3-(methylamino)phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 135173375
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
5-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167824562
2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161
4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167825514

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid (CID 175181066) is 4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid is COc1ccc(-c2cccc(N)c2)cc1S(=O)(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is JILHJDKQVKLEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c1-28-18-8-5-13(12-3-2-4-14(21)9-12)10-19(18)29(26,27)22-15-6-7-16(20(24)25)17(23)11-15/h2-11,22-23H,21H2,1H3,(H,24,25).
What are the key properties of 4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid?
4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 414.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 175181066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).