3-Amino-4-hydroxy-N-methylbenzenesulfonamide

C₇H₁₀N₂O₃SCAS 80-23-9202.23 g/mol

Open in Covalent MOL file

Phenol Primary amine Sulfonamide

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 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Amino-4-hydroxy-N-methylbenzene-1-sulfonamide hydrochloride85237-56-5Salt

Similar compounds

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 N-Methyl-p-toluenesulfonamide640-61-946 % 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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