methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate

C17H14N2O5S — CID 126458941

IUPACmethyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C17H14N2O5S/c1-24-17(21)13-4-2-3-5-15(13)19-25(22,23)12-7-8-14-11(10-12)6-9-16(20)18-14/h2-10,19H,1H3,(H,18,20)
InChIKeyAOGTXPPHPAKAHM-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.12
Rot. Bonds4

About methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate

methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate (PubChem CID 126458941) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
PubChem CID126458941
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Namemethyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C17H14N2O5S/c1-24-17(21)13-4-2-3-5-15(13)19-25(22,23)12-7-8-14-11(10-12)6-9-16(20)18-14/h2-10,19H,1H3,(H,18,20)
InChIKeyAOGTXPPHPAKAHM-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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Related Compounds

N-[2-(3,3-dimethylbutoxy)phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 161158270
methyl 2-[(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonylamino]benzoate
CID 20876182
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
N-[2-(3,3-dimethylpentoxy)phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 166688873
methyl 2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoate
CID 43624266
ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 94109831
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate
CID 110705670
methyl 2-[(2-methoxycarbonylphenyl)sulfamoylmethylsulfonylamino]benzoate
CID 91721090
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 91030950
2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
CID 7573844

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate (CID 126458941) is methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate?
The InChIKey is AOGTXPPHPAKAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-24-17(21)13-4-2-3-5-15(13)19-25(22,23)12-7-8-14-11(10-12)6-9-16(20)18-14/h2-10,19H,1H3,(H,18,20).
What are the key properties of methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate?
methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]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-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate is sourced from PubChem (CID 126458941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).