methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate

C14H13IN2O4S — CID 66610740

IUPACmethyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NS(=O)(=O)Cc1ccccc1I
InChIInChI=1S/C14H13IN2O4S/c1-21-14(18)11-6-4-8-16-13(11)17-22(19,20)9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3,(H,16,17)
InChIKeyVMHFDFQOLLDZOD-UHFFFAOYSA-N
MW432.24 g/mol
LogP2.41
Rot. Bonds5

About methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate

methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate (PubChem CID 66610740) has the molecular formula C14H13IN2O4S and a molecular weight of 432.24 g/mol. Its IUPAC name is methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate
PubChem CID66610740
Molecular FormulaC14H13IN2O4S
Molecular Weight432.24 g/mol
Exact Mass431.96
IUPAC Namemethyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NS(=O)(=O)Cc1ccccc1I
InChIInChI=1S/C14H13IN2O4S/c1-21-14(18)11-6-4-8-16-13(11)17-22(19,20)9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3,(H,16,17)
InChIKeyVMHFDFQOLLDZOD-UHFFFAOYSA-N
XLogP2.41
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
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 methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate (CID 66610740) is methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1NS(=O)(=O)Cc1ccccc1I.
What is the InChIKey of methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate?
The InChIKey is VMHFDFQOLLDZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O4S/c1-21-14(18)11-6-4-8-16-13(11)17-22(19,20)9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate?
methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate has a molecular weight of 432.24 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-iodophenyl)methylsulfonylamino]pyridine-3-carboxylate is sourced from PubChem (CID 66610740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).