4-Amino-6-chloro-1,3-benzenedisulfonamide

C₆H₈ClN₃O₄S₂CAS 121-30-2285.72 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Sulfonamide

Properties

Molecular formula: C₆H₈ClN₃O₄S₂
Molar mass: 285.72 g/mol
Exact mass: 284.9645 Da
Melting point: 254.5 °C
logP: -0.78Crippen estimate
Polar surface area: 146.3 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure13.3% of notifiers

Aggregated from 30 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, 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

121-30-2

SMILES

Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O

InChIKey

IHJCXVZDYSXXFT-UHFFFAOYSA-N

InChI

InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)

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Names and synonyms

17 names · show all

1,3-Benzenedisulfonamide, 4-amino-6-chloro-
m-Benzenedisulfonamide, 4-amino-6-chloro-
1-Amino-5-chloro-2,4-benzenedisulfonamide
4-Amino-6-chloro-m-benzenedisulfonamide
Salmid
Su 5683
4-Amino-6-chlorobenzene-1,3-disulfonamide
5-Chloro-2,4-disulfamoylaniline
Chloraminophenamide
Chloroaminophenamide
Idorese
Salamid
3-Chloro-4,6-disulfamoylaniline
Salamide
Salamide (diuretic)
NSC 93772
4-Amino-6-chlorobenzene-1,3-disulphonamide

Work with 4-Amino-6-chloro-1,3-benzenedisulfonamide

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

4-Amino-2-chloro-5-hydroxybenzenesulfonamide41606-65-970 % similar 4-Amino-6-chloro-1,3-benzenedisulfonyl dichloride671-89-659 % similar 4-Amino-2-chloro-5-(2H-tetrazol-5-yl)benzenesulfonamide82212-14-455 % similar 2-Chlorobenzenesulfonamide6961-82-653 % similar 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide654-62-653 % similar Clorsulon60200-06-853 % similar Hydrochlorothiazide58-93-549 % similar 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-449 % similar

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

Elsewhere

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