methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate

C15H17N3O4S — CID 113020650

IUPACmethyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccccc2C(=O)OC)nc1
InChIInChI=1S/C15H17N3O4S/c1-3-23(20,21)18-11-8-9-14(16-10-11)17-13-7-5-4-6-12(13)15(19)22-2/h4-10,18H,3H2,1-2H3,(H,16,17)
InChIKeyYXTZGVHTVZQKGE-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.37
Rot. Bonds6

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

methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate (PubChem CID 113020650) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
PubChem CID113020650
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Namemethyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccccc2C(=O)OC)nc1
InChIInChI=1S/C15H17N3O4S/c1-3-23(20,21)18-11-8-9-14(16-10-11)17-13-7-5-4-6-12(13)15(19)22-2/h4-10,18H,3H2,1-2H3,(H,16,17)
InChIKeyYXTZGVHTVZQKGE-UHFFFAOYSA-N
XLogP2.37
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
CID 113020658
N-[6-(2-ethylanilino)-3-pyridinyl]ethanesulfonamide
CID 113017407
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020656
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
methyl 2-[4-(butylsulfonylamino)anilino]benzoate
CID 112988467
ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate
CID 113037031
methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate
CID 113035362
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
CID 113019236
N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113021250
methyl 2-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865413

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate (CID 113020650) is methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate is CCS(=O)(=O)Nc1ccc(Nc2ccccc2C(=O)OC)nc1.
What is the InChIKey of methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate?
The InChIKey is YXTZGVHTVZQKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-23(20,21)18-11-8-9-14(16-10-11)17-13-7-5-4-6-12(13)15(19)22-2/h4-10,18H,3H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate?
methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate has a molecular weight of 335.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113020650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).