5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid

C7H3ClN2O2S — CID 130495635

IUPAC5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nsnc12
InChIInChI=1S/C7H3ClN2O2S/c8-3-1-2-4-6(10-13-9-4)5(3)7(11)12/h1-2H,(H,11,12)
InChIKeyMALDZYKCWCMWPQ-UHFFFAOYSA-N
MW214.63 g/mol
LogP2.04
Rot. Bonds1

About 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid

5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid (PubChem CID 130495635) has the molecular formula C7H3ClN2O2S and a molecular weight of 214.63 g/mol. Its IUPAC name is 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid
PubChem CID130495635
Molecular FormulaC7H3ClN2O2S
Molecular Weight214.63 g/mol
Exact Mass213.96
IUPAC Name5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nsnc12
InChIInChI=1S/C7H3ClN2O2S/c8-3-1-2-4-6(10-13-9-4)5(3)7(11)12/h1-2H,(H,11,12)
InChIKeyMALDZYKCWCMWPQ-UHFFFAOYSA-N
XLogP2.04
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid 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

5-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1-methylpyrrole-2-carboxylic acid
CID 65473777
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
4-chloro-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrole-2-carboxylic acid
CID 114605799
(E)-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]prop-2-enoic acid
CID 103252294
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 65475890
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid
CID 105421523
5-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 65473582
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)sulfamoyl]propanoic acid
CID 65475058
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-propyltriazole-4-carboxylic acid
CID 65475488

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid?
The IUPAC name of 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid (CID 130495635) is 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid is O=C(O)c1c(Cl)ccc2nsnc12.
What is the InChIKey of 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid?
The InChIKey is MALDZYKCWCMWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O2S/c8-3-1-2-4-6(10-13-9-4)5(3)7(11)12/h1-2H,(H,11,12).
What are the key properties of 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid?
5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid has a molecular weight of 214.63 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid is sourced from PubChem (CID 130495635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).