5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

C11H9IN2O4S2 — CID 104933209

IUPAC5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2ccc(I)cc2C(=O)O)s1
InChIInChI=1S/C11H9IN2O4S2/c1-6-13-5-10(19-6)20(17,18)14-9-3-2-7(12)4-8(9)11(15)16/h2-5,14H,1H3,(H,15,16)
InChIKeyLIDZSJXWJWSSQN-UHFFFAOYSA-N
MW424.24 g/mol
LogP2.56
Rot. Bonds4

About 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 104933209) has the molecular formula C11H9IN2O4S2 and a molecular weight of 424.24 g/mol. Its IUPAC name is 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
PubChem CID104933209
Molecular FormulaC11H9IN2O4S2
Molecular Weight424.24 g/mol
Exact Mass423.90
IUPAC Name5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2ccc(I)cc2C(=O)O)s1
InChIInChI=1S/C11H9IN2O4S2/c1-6-13-5-10(19-6)20(17,18)14-9-3-2-7(12)4-8(9)11(15)16/h2-5,14H,1H3,(H,15,16)
InChIKeyLIDZSJXWJWSSQN-UHFFFAOYSA-N
XLogP2.56
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (CID 104933209) is 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is Cc1ncc(S(=O)(=O)Nc2ccc(I)cc2C(=O)O)s1.
What is the InChIKey of 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is LIDZSJXWJWSSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O4S2/c1-6-13-5-10(19-6)20(17,18)14-9-3-2-7(12)4-8(9)11(15)16/h2-5,14H,1H3,(H,15,16).
What are the key properties of 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid has a molecular weight of 424.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 104933209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).