chempirical

2,6-Difluoro-3-[(propylsulfonyl)amino]benzoic acid

C10H11F2NO4SCAS 1103234-56-5279.26 g/mol

Open in Covalent MOL file
SOOHNFOOHF
Aryl halideCarboxylic acidSulfonamide

Properties

Molecular formula
C10H11F2NO4S
Molar mass
279.26 g/mol
Exact mass
279.0377 Da
logP
1.81Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Identifiers

CAS number
1103234-56-5
SMILES
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F
InChIKey
RTAWCKGXCGSFJI-UHFFFAOYSA-N
InChI
InChI=1S/C10H11F2NO4S/c1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)

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

Names and synonyms

3 names
  • Benzoic acid, 2,6-difluoro-3-[(propylsulfonyl)amino]-
  • 2,6-Difluoro-3-(propylsulfonamido)benzoic acid
  • 2,6-Difluoro-3-[[(propan-1-yl)sulfonyl]amino]benzoic acid

Work with 2,6-Difluoro-3-[(propylsulfonyl)amino]benzoic acid

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

N-[3-[(5-Chloro-1H-pyrrolo[2,3-B]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide918505-84-752 % similar 2,3,6-Trifluorobenzoic acid2358-29-450 % similar Vemurafenib1029872-54-549 % similar Vemurafenib918504-65-149 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-146 % similar 3-Bromo-2,6-difluorobenzoic acid28314-81-045 % similar 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-443 % similar 2,6-Difluorobenzoic acid385-00-242 % similar

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

Elsewhere

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