3-Amino-4-methylbenzenesulfonamide

C₇H₁₀N₂O₂SCAS 6274-28-8186.23 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₇H₁₀N₂O₂S
Molar mass: 186.23 g/mol
Exact mass: 186.0463 Da
Melting point: 176 °C
logP: 0.22Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

6274-28-8

SMILES

Cc1ccc(S(N)(=O)=O)cc1N

InChIKey

HCZDHXMDYWZPPN-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)

Weigh it out

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

Names and synonyms

3 names

Benzenesulfonamide, 3-amino-4-methyl-
NSC 36968
3-Amino-4-methylbenzene-1-sulfonamide

Work with 3-Amino-4-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-methylbenzenesulfonic acid618-03-162 % similar 2-Aminophenol-4-sulfonamide98-32-859 % similar 4-Methyl-3-nitrobenzenesulfonamide6949-23-154 % similar P-Toluenesulfonamide70-55-350 % similar 2-Amino-5-(aminosulfonyl)benzoic acid137-65-548 % similar Sulfanilamide63-74-147 % similar 2,5-Xylidine95-78-347 % similar 2,4-Diaminotoluene95-80-747 % similar

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

Same formula

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile1187595-85-2 P-Toluenesulfonylhydrazide1576-35-8 Carbimazole22232-54-8 4,6-Dimethyl-2-methylsulfonylpyrimidine35144-22-0 Ethyl 2-amino-4-thiazoleacetate53266-94-7 4-Amino-3-methylbenzene-1-sulfonamide53297-70-4 5-Amino-2-methylbenzenesulfonamide6973-09-7 Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-6

Elsewhere

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