methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate

C15H17N3O4S — CID 113035362

IUPACmethyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate
SMILESCCS(=O)(=O)Nc1ccc(Nc2cccc(C(=O)OC)c2)cn1
InChIInChI=1S/C15H17N3O4S/c1-3-23(20,21)18-14-8-7-13(10-16-14)17-12-6-4-5-11(9-12)15(19)22-2/h4-10,17H,3H2,1-2H3,(H,16,18)
InChIKeyBAEMQLYOSCTCFA-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.37
Rot. Bonds6

About methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate

methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate (PubChem CID 113035362) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate
PubChem CID113035362
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Namemethyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate
SMILESCCS(=O)(=O)Nc1ccc(Nc2cccc(C(=O)OC)c2)cn1
InChIInChI=1S/C15H17N3O4S/c1-3-23(20,21)18-14-8-7-13(10-16-14)17-12-6-4-5-11(9-12)15(19)22-2/h4-10,17H,3H2,1-2H3,(H,16,18)
InChIKeyBAEMQLYOSCTCFA-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

N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106
methyl 3-[[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]amino]benzoate
CID 113035333
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109197014
methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate
CID 113035429
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020650
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
CID 113036265
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
methyl 3-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113049450

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate (CID 113035362) is methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate is CCS(=O)(=O)Nc1ccc(Nc2cccc(C(=O)OC)c2)cn1.
What is the InChIKey of methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate?
The InChIKey is BAEMQLYOSCTCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-23(20,21)18-14-8-7-13(10-16-14)17-12-6-4-5-11(9-12)15(19)22-2/h4-10,17H,3H2,1-2H3,(H,16,18).
What are the key properties of methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate?
methyl 3-[[6-(ethylsulfonylamino)-3-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 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 113035362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).