2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid

C12H11NO4S — CID 139847780

IUPAC2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid
SMILESNc1ccc(-c2ccccc2S(=O)(=O)O)c(O)c1
InChIInChI=1S/C12H11NO4S/c13-8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)18(15,16)17/h1-7,14H,13H2,(H,15,16,17)
InChIKeyYYRPFTBYXNMWJJ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.89
Rot. Bonds2

About 2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid

2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid (PubChem CID 139847780) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid.

Molecular Properties

Compound Name2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid
PubChem CID139847780
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid
SMILESNc1ccc(-c2ccccc2S(=O)(=O)O)c(O)c1
InChIInChI=1S/C12H11NO4S/c13-8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)18(15,16)17/h1-7,14H,13H2,(H,15,16,17)
InChIKeyYYRPFTBYXNMWJJ-UHFFFAOYSA-N
XLogP1.89
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-hydroxyphenyl)phenol
CID 22023425
2-(3-aminophenyl)benzenesulfonic acid
CID 151953907
5-amino-2-(2-bromophenyl)phenol
CID 22023432
5-amino-2-(2-fluorophenyl)phenol
CID 22023317
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
CID 141399633
2-(2-hydroxyphenyl)-4-methylbenzenesulfonic acid
CID 18364680
5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol
CID 504331
2-(3-amino-2-oxochromen-8-yl)benzenesulfonic acid
CID 154037413
2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid
CID 87704061
5-amino-2-(2,5-diaminophenyl)phenol
CID 22023387
2-(4-phenylphenyl)benzenesulfonic acid
CID 19793885
4-amino-2-sulfanylbenzenesulfonic acid
CID 23287472

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid?
The IUPAC name of 2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid (CID 139847780) is 2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid.
What is the SMILES notation for 2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid?
The canonical SMILES for 2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid is Nc1ccc(-c2ccccc2S(=O)(=O)O)c(O)c1.
What is the InChIKey of 2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid?
The InChIKey is YYRPFTBYXNMWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c13-8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)18(15,16)17/h1-7,14H,13H2,(H,15,16,17).
What are the key properties of 2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid?
2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid has a molecular weight of 265.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid is sourced from PubChem (CID 139847780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).