methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate

C13H12N2O4S — CID 67044506

IUPACmethyl 2-(phenylsulfamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C13H12N2O4S/c1-19-13(16)11-8-5-9-14-12(11)20(17,18)15-10-6-3-2-4-7-10/h2-9,15H,1H3
InChIKeyGNBUZFCCBYNESG-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.67
Rot. Bonds4

About methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate

methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate (PubChem CID 67044506) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(phenylsulfamoyl)pyridine-3-carboxylate
PubChem CID67044506
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Namemethyl 2-(phenylsulfamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C13H12N2O4S/c1-19-13(16)11-8-5-9-14-12(11)20(17,18)15-10-6-3-2-4-7-10/h2-9,15H,1H3
InChIKeyGNBUZFCCBYNESG-UHFFFAOYSA-N
XLogP1.67
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate
CID 125425019
3-amino-N-phenylpyridine-2-sulfonamide
CID 15358385
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
methyl 2-amino-4-chloro-5-(phenylsulfamoyl)benzoate
CID 154097615
CID 87392386
CID 87392386
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid
CID 70384497
methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680

Frequently Asked Questions

What is the IUPAC name of methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate (CID 67044506) is methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate is COC(=O)c1cccnc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate?
The InChIKey is GNBUZFCCBYNESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-19-13(16)11-8-5-9-14-12(11)20(17,18)15-10-6-3-2-4-7-10/h2-9,15H,1H3.
What are the key properties of methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate?
methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate has a molecular weight of 292.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate is sourced from PubChem (CID 67044506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).