2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid

C14H10N2O3S — CID 136511062

IUPAC2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid
SMILESCc1ccc(-c2ccc(O)c(C(=O)O)c2)c2nsnc12
InChIInChI=1S/C14H10N2O3S/c1-7-2-4-9(13-12(7)15-20-16-13)8-3-5-11(17)10(6-8)14(18)19/h2-6,17H,1H3,(H,18,19)
InChIKeyBUXMAOLBOIRSNJ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.07
Rot. Bonds2

About 2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid

2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid (PubChem CID 136511062) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid
PubChem CID136511062
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid
SMILESCc1ccc(-c2ccc(O)c(C(=O)O)c2)c2nsnc12
InChIInChI=1S/C14H10N2O3S/c1-7-2-4-9(13-12(7)15-20-16-13)8-3-5-11(17)10(6-8)14(18)19/h2-6,17H,1H3,(H,18,19)
InChIKeyBUXMAOLBOIRSNJ-UHFFFAOYSA-N
XLogP3.07
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid (CID 136511062) is 2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid is Cc1ccc(-c2ccc(O)c(C(=O)O)c2)c2nsnc12.
What is the InChIKey of 2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid?
The InChIKey is BUXMAOLBOIRSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-7-2-4-9(13-12(7)15-20-16-13)8-3-5-11(17)10(6-8)14(18)19/h2-6,17H,1H3,(H,18,19).
What are the key properties of 2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid?
2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid has a molecular weight of 286.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)benzoic acid is sourced from PubChem (CID 136511062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).