methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate

C14H14N2O5S — CID 2091319

IUPACmethyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C14H14N2O5S/c1-20-13-8-7-10(9-15-13)16-22(18,19)12-6-4-3-5-11(12)14(17)21-2/h3-9,16H,1-2H3
InChIKeyOSTDECAOWLYLBF-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.68
Rot. Bonds5

About methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate

methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate (PubChem CID 2091319) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate
PubChem CID2091319
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Namemethyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C14H14N2O5S/c1-20-13-8-7-10(9-15-13)16-22(18,19)12-6-4-3-5-11(12)14(17)21-2/h3-9,16H,1-2H3
InChIKeyOSTDECAOWLYLBF-UHFFFAOYSA-N
XLogP1.68
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 24979468
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CID 1093419
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CID 2414409
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CID 2541488
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate (CID 2091319) is methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)nc1.
What is the InChIKey of methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate?
The InChIKey is OSTDECAOWLYLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-20-13-8-7-10(9-15-13)16-22(18,19)12-6-4-3-5-11(12)14(17)21-2/h3-9,16H,1-2H3.
What are the key properties of methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate?
methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate has a molecular weight of 322.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxy-3-pyridinyl)sulfamoyl]benzoate is sourced from PubChem (CID 2091319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).