ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate

C18H15NO7S — CID 139832919

IUPACethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cccc(NS(=O)(=O)c3ccc(O)cc3)c2o1
InChIInChI=1S/C18H15NO7S/c1-2-25-18(22)16-10-15(21)13-4-3-5-14(17(13)26-16)19-27(23,24)12-8-6-11(20)7-9-12/h3-10,19-20H,2H2,1H3
InChIKeyOVGYRJWQMQDXBG-UHFFFAOYSA-N
MW389.39 g/mol
LogP2.48
Rot. Bonds5

About ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate

ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate (PubChem CID 139832919) has the molecular formula C18H15NO7S and a molecular weight of 389.39 g/mol. Its IUPAC name is ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate
PubChem CID139832919
Molecular FormulaC18H15NO7S
Molecular Weight389.39 g/mol
Exact Mass389.06
IUPAC Nameethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cccc(NS(=O)(=O)c3ccc(O)cc3)c2o1
InChIInChI=1S/C18H15NO7S/c1-2-25-18(22)16-10-15(21)13-4-3-5-14(17(13)26-16)19-27(23,24)12-8-6-11(20)7-9-12/h3-10,19-20H,2H2,1H3
InChIKeyOVGYRJWQMQDXBG-UHFFFAOYSA-N
XLogP2.48
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate
CID 628562
ethyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926727
ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
CID 19606364
8-(diethoxyphosphorylamino)-4-oxochromene-2-carboxylic acid
CID 10246671
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 5000421
ethyl 7-hydroxy-4-oxochromene-2-carboxylate;7-hydroxy-2-(hydroxymethyl)chromen-4-one
CID 160975514
ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate
CID 2801547
4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 25065487
ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate
CID 847829
ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 1490255
ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate
CID 57238247

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate?
The IUPAC name of ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate (CID 139832919) is ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate.
What is the SMILES notation for ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate?
The canonical SMILES for ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate is CCOC(=O)c1cc(=O)c2cccc(NS(=O)(=O)c3ccc(O)cc3)c2o1.
What is the InChIKey of ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate?
The InChIKey is OVGYRJWQMQDXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO7S/c1-2-25-18(22)16-10-15(21)13-4-3-5-14(17(13)26-16)19-27(23,24)12-8-6-11(20)7-9-12/h3-10,19-20H,2H2,1H3.
What are the key properties of ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate?
ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate has a molecular weight of 389.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate is sourced from PubChem (CID 139832919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).