chempirical

Gefapixant

C14H19N5O4SCAS 1015787-98-0353.40 g/mol

Open in Covalent MOL file
ONNNH2H2NSOONH2O
EtherPrimary amineSulfonamide

Properties

Molecular formula
C14H19N5O4S
Molar mass
353.40 g/mol
Exact mass
353.1158 Da
logP
1.21Crippen estimate
Polar surface area
156.4 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
5

Identifiers

CAS number
1015787-98-0
SMILES
CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)S(=O)(=O)N)OC
InChIKey
HLWURFKMDLAKOD-UHFFFAOYSA-N
InChI
InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)

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Names and synonyms

1 names
  • 5-(2,4-Diamino-pyrimidin-5-yloxy)-4-isopropyl-2-methoxy-benzenesulfonamide

Work with Gefapixant

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

2,5-Dimethoxybenzenesulfonamide19116-90-637 % similar (R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide hydrochloride112101-75-436 % similar (R)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide112101-81-236 % similar 2-Methoxy-5-(2-oxopropyl)benzenesulfonamide116091-63-532 % similar Tamsulosin hydrochloride106463-17-631 % similar Dl-Tamsulosin hydrochloride80223-99-031 % similar 4-Amino-2,5-dimethoxy-N-methylbenzenesulfonamide49701-24-831 % similar Tamsulosin106133-20-431 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook