2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid

C19H15NO6S — CID 56595847

IUPAC2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccc(-c3ccc(O)cc3)c2)cc1O
InChIInChI=1S/C19H15NO6S/c21-15-7-4-12(5-8-15)13-2-1-3-16(10-13)27(25,26)20-14-6-9-17(19(23)24)18(22)11-14/h1-11,20-22H,(H,23,24)
InChIKeyIZYJHPZYZGOUOJ-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.26
Rot. Bonds5

About 2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid

2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 56595847) has the molecular formula C19H15NO6S and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
PubChem CID56595847
Molecular FormulaC19H15NO6S
Molecular Weight385.40 g/mol
Exact Mass385.06
IUPAC Name2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccc(-c3ccc(O)cc3)c2)cc1O
InChIInChI=1S/C19H15NO6S/c21-15-7-4-12(5-8-15)13-2-1-3-16(10-13)27(25,26)20-14-6-9-17(19(23)24)18(22)11-14/h1-11,20-22H,(H,23,24)
InChIKeyIZYJHPZYZGOUOJ-UHFFFAOYSA-N
XLogP3.26
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-[[3-[4-(methoxycarbonylamino)phenyl]phenyl]sulfonylamino]benzoic acid
CID 56596050
4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596202
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
N,3-diphenylbenzenesulfonamide
CID 54513984
2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53228934
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 175181066
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596353
methyl 2-hydroxy-4-[[3-[2-(hydroxymethyl)phenyl]phenyl]sulfonylamino]benzoate
CID 71611200
2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
CID 123387963

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid (CID 56595847) is 2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cccc(-c3ccc(O)cc3)c2)cc1O.
What is the InChIKey of 2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is IZYJHPZYZGOUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6S/c21-15-7-4-12(5-8-15)13-2-1-3-16(10-13)27(25,26)20-14-6-9-17(19(23)24)18(22)11-14/h1-11,20-22H,(H,23,24).
What are the key properties of 2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid?
2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 385.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 56595847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).