methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate

C14H14N2O4S — CID 3870610

IUPACmethyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)cn1
InChIInChI=1S/C14H14N2O4S/c1-10-7-8-13(15-9-10)16-21(18,19)12-6-4-3-5-11(12)14(17)20-2/h3-9H,1-2H3,(H,15,16)
InChIKeyJAVALYJGMQMNGK-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.98
Rot. Bonds4

About methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate

methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate (PubChem CID 3870610) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
PubChem CID3870610
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)cn1
InChIInChI=1S/C14H14N2O4S/c1-10-7-8-13(15-9-10)16-21(18,19)12-6-4-3-5-11(12)14(17)20-2/h3-9H,1-2H3,(H,15,16)
InChIKeyJAVALYJGMQMNGK-UHFFFAOYSA-N
XLogP1.98
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate
CID 3376237
methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
CID 113020658
2-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 43456730
methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680
methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 3303174
5-methyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803253
methyl 2-[(4-iodo-2-methylphenyl)sulfamoyl]benzoate
CID 5102720
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate (CID 3870610) is methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)cn1.
What is the InChIKey of methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate?
The InChIKey is JAVALYJGMQMNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-7-8-13(15-9-10)16-21(18,19)12-6-4-3-5-11(12)14(17)20-2/h3-9H,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate?
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate has a molecular weight of 306.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate is sourced from PubChem (CID 3870610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).