Phenyl 2-aminobenzenesulfonate

C₁₂H₁₁NO₃SCAS 68227-69-0249.28 g/mol

Open in Covalent MOL file

Primary amine Sulfonate ester

Properties

Molecular formula: C₁₂H₁₁NO₃S
Molar mass: 249.28 g/mol
Exact mass: 249.0460 Da
Melting point: 69–71 °C
logP: 2.04Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

68227-69-0

SMILES

Nc1ccccc1S(=O)(=O)Oc1ccccc1

InChIKey

DELFPZLNAZAZRE-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO3S/c13-11-8-4-5-9-12(11)17(14,15)16-10-6-2-1-3-7-10/h1-9H,13H2

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Names and synonyms

2 names

Benzenesulfonic acid, 2-amino-, phenyl ester
2-Aminobenzenesulfonic acid phenyl ester

Work with Phenyl 2-aminobenzenesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′-[(1-Methylethylidene)di-4,1-phenylene] bis(2-aminobenzenesulfonate)68015-60-168 % similar 2-(Phenylsulfonyl)aniline4273-98-750 % similar 2-Aminobenzenesulfonamide3306-62-548 % similar Orthanilic acid88-21-147 % similar Phenyl methanesulfonate16156-59-541 % similar 2-Phenoxyaniline2688-84-841 % similar 2-Amino-N-ethyl-N-phenylbenzenesulfonamide81-10-740 % similar 2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide70693-59-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(4-Hydroxyphenyl)benzenesulfonamide5471-90-9

Elsewhere

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