ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate

C15H19N5O4S — CID 113051086

IUPACethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NS(=O)(=O)N(C)C)nn1
InChIInChI=1S/C15H19N5O4S/c1-4-24-15(21)11-7-5-6-8-12(11)16-13-9-10-14(18-17-13)19-25(22,23)20(2)3/h5-10H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySIIRLTINGHLWGZ-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.62
Rot. Bonds7

About ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate

ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate (PubChem CID 113051086) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
PubChem CID113051086
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Nameethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NS(=O)(=O)N(C)C)nn1
InChIInChI=1S/C15H19N5O4S/c1-4-24-15(21)11-7-5-6-8-12(11)16-13-9-10-14(18-17-13)19-25(22,23)20(2)3/h5-10H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySIIRLTINGHLWGZ-UHFFFAOYSA-N
XLogP1.62
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127291
ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113051053
ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109110175
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
ethyl 2-[[3-(N-methylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112962552
methyl 2-[[6-(2-ethoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866797
ethyl 2-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877855
ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128564
methyl 2-[4-(dimethylsulfamoylamino)anilino]benzoate
CID 112988468
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109116763

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate (CID 113051086) is ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(NS(=O)(=O)N(C)C)nn1.
What is the InChIKey of ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate?
The InChIKey is SIIRLTINGHLWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-4-24-15(21)11-7-5-6-8-12(11)16-13-9-10-14(18-17-13)19-25(22,23)20(2)3/h5-10H,4H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate?
ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate has a molecular weight of 365.42 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 113051086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).