Dotinurad
(3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2H-1,3-benzothiazol-3-yl)methanone
Molecular Identity
Dotinurad
(3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2H-1,3-benzothiazol-3-yl)methanone
PubChem CID: 51349053
2D Structure
Properties
C14H9Cl2NO4S
Molecular Formula
358.20
Molecular Weight
g/mol
356.9629
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
83.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
538
Complexity
SMILES
Canonical SMILES
SMILES: C1N(C2=CC=CC=C2S1(=O)=O)C(=O)C3=CC(=C(C(=C3)Cl)O)ClIsomeric SMILES
SMILES: C1N(C2=CC=CC=C2S1(=O)=O)C(=O)C3=CC(=C(C(=C3)Cl)O)ClSynonyms(20)
Dotinurad1285572-51-1FYU-981Urece305EB53128DTXSID601336927Methanone, (3,5-dichloro-4-hydroxyphenyl)(1,1-dioxido-3(2H)-benzothiazolyl)-dotinuradumRefChem:590379(3,5-dichloro-4-hydroxyphenyl)(1,1-dioxidobenzo[d]thiazol-3(2H)-yl)methanoneDotinurad [INN](3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2H-1,3-benzothiazol-3-yl)methanoneFYU981MFCD32174262A1AIK
Data from PubChem (NCBI)
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Drug Network
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