chempirical

3-Amino-4-hydroxy-N-methylbenzene-1-sulfonamide hydrochloride

C7H11ClN2O3SCAS 85237-56-5238.69 g/mol

Open in Covalent MOL file
NHSOOOHNH2HCl
PhenolPrimary amineSulfonamide

Properties

Molecular formula
C7H11ClN2O3S
Molar mass
238.69 g/mol
Exact mass
238.0179 Da
logP
0.30Crippen estimate
Polar surface area
92.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
85237-56-5
SMILES
CNS(=O)(=O)c1ccc(O)c(N)c1.Cl
InChIKey
GHHAVLSLVYARGK-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O3S.ClH/c1-9-13(11,12)5-2-3-7(10)6(8)4-5;/h2-4,9-10H,8H2,1H3;1H

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

Names and synonyms

3 names
  • Benzenesulfonamide, 3-amino-4-hydroxy-N-methyl-, hydrochloride (1:1)
  • Benzenesulfonamide, 3-amino-4-hydroxy-N-methyl-, monohydrochloride
  • 3-Amino-4-hydroxy-N-methylbenzenesulfonamide hydrochloride

Work with 3-Amino-4-hydroxy-N-methylbenzene-1-sulfonamide hydrochloride

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

3-Amino-4-hydroxy-N-methylbenzenesulfonamide80-23-991 % similar 3-Amino-N-ethyl-4-hydroxybenzenesulfonamide41606-61-563 % similar Abps7545-50-855 % similar 2-Amino-4-(methylsulfonyl)phenol98-30-655 % similar 2-Aminophenol-4-sulfonamide98-32-853 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-353 % similar 6-Amino-N-methyl-2-naphthalenesulfonamide104295-55-849 % similar 2-[[(3-Amino-4-hydroxyphenyl)sulfonyl]amino]benzoic acid91-35-048 % similar

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

Elsewhere

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