methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate

C15H18N4O4S — CID 113035429

IUPACmethyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(NS(=O)(=O)N(C)C)nc2)cc1
InChIInChI=1S/C15H18N4O4S/c1-19(2)24(21,22)18-14-9-8-13(10-16-14)17-12-6-4-11(5-7-12)15(20)23-3/h4-10,17H,1-3H3,(H,16,18)
InChIKeyLUMGFYHKLBARSC-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.83
Rot. Bonds6

About methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate

methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate (PubChem CID 113035429) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate
PubChem CID113035429
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Namemethyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(NS(=O)(=O)N(C)C)nc2)cc1
InChIInChI=1S/C15H18N4O4S/c1-19(2)24(21,22)18-14-9-8-13(10-16-14)17-12-6-4-11(5-7-12)15(20)23-3/h4-10,17H,1-3H3,(H,16,18)
InChIKeyLUMGFYHKLBARSC-UHFFFAOYSA-N
XLogP1.83
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(dimethylsulfamoylamino)benzoate
CID 884458
methyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]benzoate
CID 113035380
methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
CID 113035384
methyl 4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]amino]benzoate
CID 113035396
methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate
CID 113035362
2-(dimethylsulfamoylamino)-5-(2-methylpropylamino)pyridine
CID 113024164
5-(dimethylsulfamoylamino)-2-(4-methylanilino)pyridine
CID 113016392
2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine
CID 113032840
5-(dimethylsulfamoylamino)-2-(2-methoxyanilino)pyridine
CID 113019343
5-(dimethylsulfamoylamino)-2-(methylamino)pyridine
CID 115268515
methyl 3-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113049450
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate (CID 113035429) is methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2ccc(NS(=O)(=O)N(C)C)nc2)cc1.
What is the InChIKey of methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate?
The InChIKey is LUMGFYHKLBARSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-19(2)24(21,22)18-14-9-8-13(10-16-14)17-12-6-4-11(5-7-12)15(20)23-3/h4-10,17H,1-3H3,(H,16,18).
What are the key properties of methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate?
methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate has a molecular weight of 350.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 113035429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).