Skip to content

Dotinurad

C14H9Cl2NO4S — CID 51349053

💊View drug profile → dotinurad

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2H-1,3-benzothiazol-3-yl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2
InChIKeyVOFLAIHEELWYGO-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.09
Rot. Bonds1

About Dotinurad

Dotinurad (PubChem CID 51349053) has the molecular formula C14H9Cl2NO4S and a molecular weight of 358.20 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2H-1,3-benzothiazol-3-yl)methanone.

Molecular Properties

Compound NameDotinurad
PubChem CID51349053
Molecular FormulaC14H9Cl2NO4S
Molecular Weight358.20 g/mol
Exact Mass356.96
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2H-1,3-benzothiazol-3-yl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2
InChIKeyVOFLAIHEELWYGO-UHFFFAOYSA-N
XLogP3.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze Dotinurad with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-Chloro-5-cyano-4-hydroxybenzoyl)-1,1-dioxo-2,3-dihydro-1,3-benzothiazole
CID 51349057
3-(3-Chloro-4-hydroxy-5-trifluoromethylbenzoyl)-1,1-dioxo-2,3-dihydro-1,3-benzothiazole
CID 51349187
3-(3-Chloro-4-hydroxy-5-methylsulfanylbenzoyl)-1,1-dioxo-2,3-dihydro-1,3-benzothiazole
CID 51349323
3-(3-Chloro-5-fluoro-4-hydroxybenzoyl)-1,1-dioxo-2,3-dihydro-1,3-benzothiazole
CID 51349322
(3-chloro-5-fluoro-2-hydroxyphenyl)-(1,1-dioxo-2H-1,3-benzothiazol-3-yl)methanone
CID 174654456

Frequently Asked Questions

What is the IUPAC name of Dotinurad?
The IUPAC name of Dotinurad (CID 51349053) is (3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2H-1,3-benzothiazol-3-yl)methanone.
What is the SMILES notation for Dotinurad?
The canonical SMILES for Dotinurad is O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21.
What is the InChIKey of Dotinurad?
The InChIKey is VOFLAIHEELWYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2.
What are the key properties of Dotinurad?
Dotinurad has a molecular weight of 358.20 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Dotinurad is sourced from PubChem (CID 51349053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: D · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.