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

C19H18Cl2N2O7S — CID 4079305

IUPAC[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H18Cl2N2O7S/c20-12-1-4-17(24)14(9-12)19(26)30-11-18(25)22-16-10-13(2-3-15(16)21)31(27,28)23-5-7-29-8-6-23/h1-4,9-10,24H,5-8,11H2,(H,22,25)
InChIKeyQCFISHUIPGIQCS-UHFFFAOYSA-N
MW489.33 g/mol
LogP2.52
Rot. Bonds6

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

[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate (PubChem CID 4079305) has the molecular formula C19H18Cl2N2O7S and a molecular weight of 489.33 g/mol. Its IUPAC name is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
PubChem CID4079305
Molecular FormulaC19H18Cl2N2O7S
Molecular Weight489.33 g/mol
Exact Mass488.02
IUPAC Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H18Cl2N2O7S/c20-12-1-4-17(24)14(9-12)19(26)30-11-18(25)22-16-10-13(2-3-15(16)21)31(27,28)23-5-7-29-8-6-23/h1-4,9-10,24H,5-8,11H2,(H,22,25)
InChIKeyQCFISHUIPGIQCS-UHFFFAOYSA-N
XLogP2.52
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 4637199
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 3970101
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3893296
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 4854301
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521191
[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 5146120
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 3259805
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 3436179
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 4002541
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
[2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] oxane-4-carboxylate
CID 55374926
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527536

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate (CID 4079305) is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate is O=C(COC(=O)c1cc(Cl)ccc1O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The InChIKey is QCFISHUIPGIQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O7S/c20-12-1-4-17(24)14(9-12)19(26)30-11-18(25)22-16-10-13(2-3-15(16)21)31(27,28)23-5-7-29-8-6-23/h1-4,9-10,24H,5-8,11H2,(H,22,25).
What are the key properties of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate has a molecular weight of 489.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 4079305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).