chempirical

3-Amino-4-hydroxy-N-methylbenzenesulfonamide

C7H10N2O3SCAS 80-23-9202.23 g/mol

Open in Covalent MOL file
NHSOOOHNH2
PhenolPrimary amineSulfonamide

Properties

Molecular formula
C7H10N2O3S
Molar mass
202.23 g/mol
Exact mass
202.0412 Da
Melting point
129–130 °C
logP
-0.12Crippen estimate
Polar surface area
92.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
80-23-9
SMILES
CNS(=O)(=O)c1ccc(O)c(N)c1
InChIKey
NFNLMGYLSDEJKS-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O3S/c1-9-13(11,12)5-2-3-7(10)6(8)4-5/h2-4,9-10H,8H2,1H3

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

Names and synonyms

10 names
  • Benzenesulfonamide, 3-amino-4-hydroxy-N-methyl-
  • Metanilamide, 4-hydroxy-N1-methyl-
  • Metanilamide, 4-hydroxy-N-methyl-
  • 1-Phenol-4-sulfonamide, 2-amino-N-methyl-
  • 2-Amino-N-methyl-1-phenol-4-sulfonamide
  • 2-Aminophenol-4-sulfomethylamide
  • 2-Aminophenol-4-sulfonic acid methylamide
  • 4-Hydroxy-N1-methylmetanilamide
  • 2-Amino-4-(methylsulfamoyl)phenol
  • 3-Amino-4-hydroxy-N-methylbenzene-1-sulfonamide

Work with 3-Amino-4-hydroxy-N-methylbenzenesulfonamide

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-methylbenzene-1-sulfonamide hydrochloride85237-56-591 % similar 3-Amino-N-ethyl-4-hydroxybenzenesulfonamide41606-61-568 % similar Abps7545-50-860 % similar 2-Amino-4-(methylsulfonyl)phenol98-30-659 % similar 2-Aminophenol-4-sulfonamide98-32-857 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-357 % similar 6-Amino-N-methyl-2-naphthalenesulfonamide104295-55-853 % similar 2-[[(3-Amino-4-hydroxyphenyl)sulfonyl]amino]benzoic acid91-35-051 % similar

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

Same formula

4-Methoxybenzenesulfonic acid hydrazide1950-68-1 3,5-Diamino-4-methylbenzenesulfonic acid98-25-9

Elsewhere

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