methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate

C17H14N2O5S — CID 44623908

IUPACmethyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H14N2O5S/c1-24-17(21)12-7-3-5-9-15(12)25(22,23)19-16-10-14(20)11-6-2-4-8-13(11)18-16/h2-10H,1H3,(H2,18,19,20)
InChIKeyAPHZRAFGGRCPHC-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.12
Rot. Bonds4

About methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate

methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate (PubChem CID 44623908) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate
PubChem CID44623908
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Namemethyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H14N2O5S/c1-24-17(21)12-7-3-5-9-15(12)25(22,23)19-16-10-14(20)11-6-2-4-8-13(11)18-16/h2-10H,1H3,(H2,18,19,20)
InChIKeyAPHZRAFGGRCPHC-UHFFFAOYSA-N
XLogP2.12
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate (CID 44623908) is methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate?
The InChIKey is APHZRAFGGRCPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-24-17(21)12-7-3-5-9-15(12)25(22,23)19-16-10-14(20)11-6-2-4-8-13(11)18-16/h2-10H,1H3,(H2,18,19,20).
What are the key properties of methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate?
methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate has a molecular weight of 358.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 44623908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).