ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate

C18H23N3O4S — CID 113037031

IUPACethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccccc2C(=O)OCC)cn1
InChIInChI=1S/C18H23N3O4S/c1-3-5-12-26(23,24)21-17-11-10-14(13-19-17)20-16-9-7-6-8-15(16)18(22)25-4-2/h6-11,13,20H,3-5,12H2,1-2H3,(H,19,21)
InChIKeySOIJPXHYLPGTOC-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.54
Rot. Bonds9

About ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate

ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate (PubChem CID 113037031) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate
PubChem CID113037031
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Nameethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccccc2C(=O)OCC)cn1
InChIInChI=1S/C18H23N3O4S/c1-3-5-12-26(23,24)21-17-11-10-14(13-19-17)20-16-9-7-6-8-15(16)18(22)25-4-2/h6-11,13,20H,3-5,12H2,1-2H3,(H,19,21)
InChIKeySOIJPXHYLPGTOC-UHFFFAOYSA-N
XLogP3.54
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
methyl 2-[4-(butylsulfonylamino)anilino]benzoate
CID 112988467
ethyl 2-[[6-[(2-methoxybenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037000
ethyl 2-[[6-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109195810
ethyl 2-[[6-[(4-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037011
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020650
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022610
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate
CID 113022585

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate (CID 113037031) is ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate is CCCCS(=O)(=O)Nc1ccc(Nc2ccccc2C(=O)OCC)cn1.
What is the InChIKey of ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate?
The InChIKey is SOIJPXHYLPGTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-5-12-26(23,24)21-17-11-10-14(13-19-17)20-16-9-7-6-8-15(16)18(22)25-4-2/h6-11,13,20H,3-5,12H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate?
ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate has a molecular weight of 377.47 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 113037031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).