[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate

C22H19ClN2O8S — CID 3436179

IUPAC[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H19ClN2O8S/c23-16-6-5-14(34(29,30)25-7-9-31-10-8-25)11-17(16)24-21(27)13-32-22(28)20-12-18(26)15-3-1-2-4-19(15)33-20/h1-6,11-12H,7-10,13H2,(H,24,27)
InChIKeyISEPWCQKMMVXDK-UHFFFAOYSA-N
MW506.92 g/mol
LogP2.26
Rot. Bonds6

About [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 3436179) has the molecular formula C22H19ClN2O8S and a molecular weight of 506.92 g/mol. Its IUPAC name is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID3436179
Molecular FormulaC22H19ClN2O8S
Molecular Weight506.92 g/mol
Exact Mass506.06
IUPAC Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H19ClN2O8S/c23-16-6-5-14(34(29,30)25-7-9-31-10-8-25)11-17(16)24-21(27)13-32-22(28)20-12-18(26)15-3-1-2-4-19(15)33-20/h1-6,11-12H,7-10,13H2,(H,24,27)
InChIKeyISEPWCQKMMVXDK-UHFFFAOYSA-N
XLogP2.26
TPSA132.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.92
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 4077487
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3893296
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 4637199
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 4079305
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4830889
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 4002541
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-oxochromene-2-carboxylate
CID 46788299
[2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] oxane-4-carboxylate
CID 55374926
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521191
[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 4839115
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 26639783
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(3-fluorophenoxy)acetamide
CID 42989229

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 3436179) is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate is O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is ISEPWCQKMMVXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O8S/c23-16-6-5-14(34(29,30)25-7-9-31-10-8-25)11-17(16)24-21(27)13-32-22(28)20-12-18(26)15-3-1-2-4-19(15)33-20/h1-6,11-12H,7-10,13H2,(H,24,27).
What are the key properties of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 506.92 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 3436179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).