methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate

C19H18N2O4S — CID 78845483

IUPACmethyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)S(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C19H18N2O4S/c1-13-11-14-7-6-10-17(18(14)20-12-13)26(23,24)21(2)16-9-5-4-8-15(16)19(22)25-3/h4-12H,1-3H3
InChIKeyURELYBQQPZNUBK-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.15
Rot. Bonds4

About methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate

methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate (PubChem CID 78845483) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate
PubChem CID78845483
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Namemethyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)S(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C19H18N2O4S/c1-13-11-14-7-6-10-17(18(14)20-12-13)26(23,24)21(2)16-9-5-4-8-15(16)19(22)25-3/h4-12H,1-3H3
InChIKeyURELYBQQPZNUBK-UHFFFAOYSA-N
XLogP3.15
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate (CID 78845483) is methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate is COC(=O)c1ccccc1N(C)S(=O)(=O)c1cccc2cc(C)cnc12.
What is the InChIKey of methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate?
The InChIKey is URELYBQQPZNUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-13-11-14-7-6-10-17(18(14)20-12-13)26(23,24)21(2)16-9-5-4-8-15(16)19(22)25-3/h4-12H,1-3H3.
What are the key properties of methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate?
methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate has a molecular weight of 370.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(3-methylquinolin-8-yl)sulfonylamino]benzoate is sourced from PubChem (CID 78845483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).