methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate

C16H16FN3O5S — CID 71912703

IUPACmethyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C16H16FN3O5S/c1-20(2)15(21)12-5-4-6-14(18-12)19-26(23,24)13-9-10(17)7-8-11(13)16(22)25-3/h4-9H,1-3H3,(H,18,19)
InChIKeyAXIMHRQKSOHHOO-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.51
Rot. Bonds5

About methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate

methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate (PubChem CID 71912703) has the molecular formula C16H16FN3O5S and a molecular weight of 381.39 g/mol. Its IUPAC name is methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate
PubChem CID71912703
Molecular FormulaC16H16FN3O5S
Molecular Weight381.39 g/mol
Exact Mass381.08
IUPAC Namemethyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C16H16FN3O5S/c1-20(2)15(21)12-5-4-6-14(18-12)19-26(23,24)13-9-10(17)7-8-11(13)16(22)25-3/h4-9H,1-3H3,(H,18,19)
InChIKeyAXIMHRQKSOHHOO-UHFFFAOYSA-N
XLogP1.51
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate?
The IUPAC name of methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate (CID 71912703) is methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate.
What is the SMILES notation for methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate?
The canonical SMILES for methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate is COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N(C)C)n1.
What is the InChIKey of methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate?
The InChIKey is AXIMHRQKSOHHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O5S/c1-20(2)15(21)12-5-4-6-14(18-12)19-26(23,24)13-9-10(17)7-8-11(13)16(22)25-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate?
methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate has a molecular weight of 381.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(dimethylcarbamoyl)-2-pyridinyl]sulfamoyl]-4-fluorobenzoate is sourced from PubChem (CID 71912703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).