2-(2-methoxyanilino)benzenesulfonic acid

C13H13NO4S — CID 54523549

IUPAC2-(2-methoxyanilino)benzenesulfonic acid
SMILESCOc1ccccc1Nc1ccccc1S(=O)(=O)O
InChIInChI=1S/C13H13NO4S/c1-18-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)19(15,16)17/h2-9,14H,1H3,(H,15,16,17)
InChIKeyVFPXNXYBFJOBKJ-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-methoxyanilino)benzenesulfonic acid

2-(2-methoxyanilino)benzenesulfonic acid (PubChem CID 54523549) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(2-methoxyanilino)benzenesulfonic acid.

Molecular Properties

Compound Name2-(2-methoxyanilino)benzenesulfonic acid
PubChem CID54523549
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name2-(2-methoxyanilino)benzenesulfonic acid
SMILESCOc1ccccc1Nc1ccccc1S(=O)(=O)O
InChIInChI=1S/C13H13NO4S/c1-18-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)19(15,16)17/h2-9,14H,1H3,(H,15,16,17)
InChIKeyVFPXNXYBFJOBKJ-UHFFFAOYSA-N
XLogP2.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-phenylaniline
CID 10910514
4-(2-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid
CID 102346979
1-chloro-2-(2-methoxyphenyl)hydrazine;sulfuric acid
CID 175005689
methanesulfonic acid;2-methoxyphenol
CID 71332079
4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid
CID 13348413
4-(2-methoxyanilino)-2-methyl-5-methylsulfonylbenzoyl chloride
CID 18930159
(2-methoxyanilino)methanone
CID 91159074
2-hydrazinylbenzenesulfonic acid;hydrate
CID 87148445
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
2-methylsulfonyloxybenzenesulfonic acid
CID 14317974
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide
CID 2465106

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)benzenesulfonic acid?
The IUPAC name of 2-(2-methoxyanilino)benzenesulfonic acid (CID 54523549) is 2-(2-methoxyanilino)benzenesulfonic acid.
What is the SMILES notation for 2-(2-methoxyanilino)benzenesulfonic acid?
The canonical SMILES for 2-(2-methoxyanilino)benzenesulfonic acid is COc1ccccc1Nc1ccccc1S(=O)(=O)O.
What is the InChIKey of 2-(2-methoxyanilino)benzenesulfonic acid?
The InChIKey is VFPXNXYBFJOBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-18-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)19(15,16)17/h2-9,14H,1H3,(H,15,16,17).
What are the key properties of 2-(2-methoxyanilino)benzenesulfonic acid?
2-(2-methoxyanilino)benzenesulfonic acid has a molecular weight of 279.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)benzenesulfonic acid is sourced from PubChem (CID 54523549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).