Phthalylsulfathiazole

C17H13N3O5S2CAS 85-73-4403.43 g/mol

Open in Covalent MOL file
OHOONHSOONHNS
AmideCarboxylic acidSulfonamide

Properties

Molecular formula
C17H13N3O5S2
Molar mass
403.43 g/mol
Exact mass
403.0297 Da
Melting point
273 °C
logP
2.89Crippen estimate
Polar surface area
125.5 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6

Hazards

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number
85-73-4
SMILES
O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIKey
PBMSWVPMRUJMPE-UHFFFAOYSA-N
InChI
InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)

Weigh it out

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

Names and synonyms

41 names · show all
  • Benzoic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-
  • Phthalanilic acid, 4′-(2-thiazolylsulfamoyl)-
  • 2-[[[4-[(2-Thiazolylamino)sulfonyl]phenyl]amino]carbonyl]benzoic acid
  • AFI-Ftalyl
  • (o-Carboxybenzoyl)-p-aminophenylsulfonamidothiazole
  • Cremothalidine
  • Enteramida
  • Entero-sulfina
  • Entexidina
  • Intestiazol
  • Phthalazol
  • 2-(N4-Phthalylaminobenzenesulfonamide)thiazole
  • Phthalylnorsulfazole
  • 2-(N4-Phthalylsulfanilamido)thiazole
  • Phthalylsulfonazole
  • Sulfacetil
  • Sulfaphthalazole
  • Sulfathalidine
  • Sulftalyl
  • Taleudron
  • Talidine
  • Taloudron
  • Thalazole
  • Thalistanin
  • Thalistatyl
  • 4′-(2-Thiazolylsulfamoyl)phthalanilic acid
  • 4′-(2-Thiazolylsulfamyl)phthalanilic acid
  • Ultratiazol
  • Phthalylsulphathiazole
  • Ftalazol
  • Phthalidin
  • Thalinil
  • Ftalysept
  • Ftalil-esteve
  • Phtalazol
  • Ftalil-septol
  • Sulphaphthalyl
  • NSC 66454
  • NSC 683525
  • 2-[[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid
  • 2-([4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl]carbamoyl)benzoic acid

Work with Phthalylsulfathiazole

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

Succinylsulfathiazole116-43-857 % similar Kartogenin4727-31-550 % similar Sulfathiazole72-14-050 % similar 4-(2-Methylbenzoylamino)-2-methylbenzoic acid317374-08-641 % similar Sulfasalazine599-79-139 % similar 4-[(Biphenyl-2-ylcarbonyl)amino]benzoic acid168626-74-239 % similar 2-[[(3-Amino-4-hydroxyphenyl)sulfonyl]amino]benzoic acid91-35-037 % similar Phthalic acid88-99-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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