Sulfadoxine

C₁₂H₁₄N₄O₄SCAS 2447-57-6310.33 g/mol

Open in Covalent MOL file

Ether Primary amine Sulfonamide

Properties

Molecular formula: C₁₂H₁₄N₄O₄S
Molar mass: 310.33 g/mol
Exact mass: 310.0736 Da
Melting point: 190–194 °C
logP: 0.88Crippen estimate
Polar surface area: 116.4 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation57.7% of notifiers
H317 May cause an allergic skin reaction43.8% of notifiers
H319 Causes serious eye irritation57.7% of notifiers
H335 May cause respiratory irritation55.4% of notifiers
H400 Very toxic to aquatic life22.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects22.3% of notifiers
H411 Toxic to aquatic life with long lasting effects42.3% of notifiers

Aggregated from 130 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2447-57-6

SMILES

COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC

InChIKey

PJSFRIWCGOHTNF-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

Weigh it out

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

Names and synonyms

20 names · show all

Benzenesulfonamide, 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)-
Sulfanilamide, N1-(5,6-dimethoxy-4-pyrimidinyl)-
4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
Ro 4-4393
N1-5,6-Dimethoxy-4-pyrimidinylsulfanilamide
4,5-Dimethoxy-6-sulfanilamidopyrimidine
Fanasil
4-Sulfanilamido-5,6-dimethoxypyrimidine
Sulformetoxine
Sulforthodimethoxine
Sulforthomidine
WR 4073
Sulformethoxine
Sanasil
Sulfadoxin
Sulformetoxin
Fanasulf
Orthosulfin
4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzensulfonamide
Sulfadimoxine

Work with Sulfadoxine

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

Sulfamonomethoxine1220-83-358 % similar Sulfamethoxydiazine651-06-955 % similar Sulfamethoxypyridazine80-35-352 % similar Sulfadiazine68-35-946 % similar 4,4′-Diaminobenzenesulfonanilide16803-97-745 % similar 5,6-Dimethoxypyrimidin-4-amine5018-45-144 % similar Sulfamethizole144-82-144 % similar Sulfapyridine144-83-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sulfadimethoxine122-11-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook