methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate

C20H19N3O4S — CID 113020658

IUPACmethyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NS(=O)(=O)c2ccccc2C)cn1
InChIInChI=1S/C20H19N3O4S/c1-14-7-3-6-10-18(14)28(25,26)23-15-11-12-19(21-13-15)22-17-9-5-4-8-16(17)20(24)27-2/h3-13,23H,1-2H3,(H,21,22)
InChIKeyYZSFGZUSLWQXCA-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.72
Rot. Bonds6

About methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate

methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate (PubChem CID 113020658) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
PubChem CID113020658
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Namemethyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NS(=O)(=O)c2ccccc2C)cn1
InChIInChI=1S/C20H19N3O4S/c1-14-7-3-6-10-18(14)28(25,26)23-15-11-12-19(21-13-15)22-17-9-5-4-8-16(17)20(24)27-2/h3-13,23H,1-2H3,(H,21,22)
InChIKeyYZSFGZUSLWQXCA-UHFFFAOYSA-N
XLogP3.72
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020650
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020656
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113023281
N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113014986
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
CID 3870610
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[[4-methyl-3-(methylsulfamoyl)phenyl]sulfamoyl]benzoate
CID 8519727

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate (CID 113020658) is methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(NS(=O)(=O)c2ccccc2C)cn1.
What is the InChIKey of methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate?
The InChIKey is YZSFGZUSLWQXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14-7-3-6-10-18(14)28(25,26)23-15-11-12-19(21-13-15)22-17-9-5-4-8-16(17)20(24)27-2/h3-13,23H,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate?
methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate has a molecular weight of 397.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113020658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).