methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate

C15H16N2O4S — CID 3376237

IUPACmethyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate
SMILESCCc1cccc(NS(=O)(=O)c2ccccc2C(=O)OC)n1
InChIInChI=1S/C15H16N2O4S/c1-3-11-7-6-10-14(16-11)17-22(19,20)13-9-5-4-8-12(13)15(18)21-2/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyMGLMLUNBVHJADT-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.23
Rot. Bonds5

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

methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate (PubChem CID 3376237) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate
PubChem CID3376237
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate
SMILESCCc1cccc(NS(=O)(=O)c2ccccc2C(=O)OC)n1
InChIInChI=1S/C15H16N2O4S/c1-3-11-7-6-10-14(16-11)17-22(19,20)13-9-5-4-8-12(13)15(18)21-2/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyMGLMLUNBVHJADT-UHFFFAOYSA-N
XLogP2.23
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25042631
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
4-ethyl-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
CID 3256237
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
CID 3870610
2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
CID 3868272
methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336
methyl 2-[(2-butylphenyl)sulfamoyl]benzoate
CID 54336773
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-[(propanoylamino)sulfamoyl]benzoate
CID 8505481
methyl 2-(hexan-3-ylsulfamoyl)benzoate
CID 103833550
methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 55603773
methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate (CID 3376237) is methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate is CCc1cccc(NS(=O)(=O)c2ccccc2C(=O)OC)n1.
What is the InChIKey of methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate?
The InChIKey is MGLMLUNBVHJADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-3-11-7-6-10-14(16-11)17-22(19,20)13-9-5-4-8-12(13)15(18)21-2/h4-10H,3H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate?
methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate has a molecular weight of 320.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate is sourced from PubChem (CID 3376237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).