5-Acetamido-2-aminobenzenesulfonic acid

C₈H₁₀N₂O₄SCAS 96-78-6230.24 g/mol

Open in Covalent MOL file

Alcohol Primary Amine Sulfone

Properties

Molecular formula: C₈H₁₀N₂O₄S
Molar mass: 230.24 g/mol
Exact mass: 230.0361 Da
logP: 1.12Crippen estimate
Polar surface area: 113.0 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Identifiers

CAS number

96-78-6

SMILES

CC(O)=Nc1ccc(N)c(S(=O)(=O)O)c1

InChIKey

PHRVJZNHPVJYOM-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O4S/c1-5(11)10-6-2-3-7(9)8(4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all

Benzenesulfonic acid, 5-(acetylamino)-2-amino-
Benzenesulfonic acid, 5-acetamido-2-amino-
5-(Acetylamino)-2-aminobenzenesulfonic acid
5-Acetamidoorthanilic acid
N4-Acetyl-2-sulfo-p-phenylenediamine
4-Aminoacetanilide-3-sulfonic acid
5-Acetylamino-2-aminobenzene-1-sulfonic acid
4-(Acetylamino)aniline-2-sulfonic acid
2-Amino-5-(acetylamino)benzenesulfonic acid
4-Amino-3-sulfoacetanilide
4-Acetamido-2-sulfoaniline
NSC 36988
2-Amino-5-acetamidobenzene-1-sulfonic acid

Work with 5-Acetamido-2-aminobenzenesulfonic acid

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

Same formula

(6R,7R)-7-Amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid15690-38-7 Asulam3337-71-1 N-Methyl-4-nitrobenzenemethanesulfonamide85952-29-0 4-Acetamido-2-aminobenzenesulfonic acid88-64-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook