methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate

C12H13N3O4S — CID 63000517

IUPACmethyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C12H13N3O4S/c1-8-13-7-11(14-8)20(17,18)15-10-6-4-3-5-9(10)12(16)19-2/h3-7,15H,1-2H3,(H,13,14)
InChIKeyJGAUYZWLWSEJJC-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.31
Rot. Bonds4

About methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate

methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate (PubChem CID 63000517) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate
PubChem CID63000517
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Namemethyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C12H13N3O4S/c1-8-13-7-11(14-8)20(17,18)15-10-6-4-3-5-9(10)12(16)19-2/h3-7,15H,1-2H3,(H,13,14)
InChIKeyJGAUYZWLWSEJJC-UHFFFAOYSA-N
XLogP1.31
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 63903278
N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 63000019
methyl 4-methyl-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]thiophene-2-carboxylate
CID 114916099
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
CID 4730940
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
methyl 2-[(2-methoxycarbonylphenyl)sulfamoylmethylsulfonylamino]benzoate
CID 91721090
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
CID 27242666
N-(2,6-dibromophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 104922595
N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 113257304

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate (CID 63000517) is methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate?
The InChIKey is JGAUYZWLWSEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-13-7-11(14-8)20(17,18)15-10-6-4-3-5-9(10)12(16)19-2/h3-7,15H,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate?
methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate has a molecular weight of 295.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate is sourced from PubChem (CID 63000517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).