ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate

C19H22N2O8S2 — CID 4585809

IUPACethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1
InChIInChI=1S/C19H22N2O8S2/c1-2-29-19(23)14-3-5-15(6-4-14)30(24,25)20-17-13-16(7-8-18(17)22)31(26,27)21-9-11-28-12-10-21/h3-8,13,20,22H,2,9-12H2,1H3
InChIKeyUEDOYFOCQNPQFJ-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.39
Rot. Bonds7

About ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate

ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate (PubChem CID 4585809) has the molecular formula C19H22N2O8S2 and a molecular weight of 470.53 g/mol. Its IUPAC name is ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
PubChem CID4585809
Molecular FormulaC19H22N2O8S2
Molecular Weight470.53 g/mol
Exact Mass470.08
IUPAC Nameethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1
InChIInChI=1S/C19H22N2O8S2/c1-2-29-19(23)14-3-5-15(6-4-14)30(24,25)20-17-13-16(7-8-18(17)22)31(26,27)21-9-11-28-12-10-21/h3-8,13,20,22H,2,9-12H2,1H3
InChIKeyUEDOYFOCQNPQFJ-UHFFFAOYSA-N
XLogP1.39
TPSA139.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
Ethyl 4-[[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 5019635
3-[(4-Methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 5176528
Methyl 4-[2-amino-4-(piperidine-1-sulfonyl)phenoxy]benzoate
CID 3368161
N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 5236593
N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3319120
3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4524358
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 4803722
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 4850076
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 4850078
3-[[5-(Diethylsulfamoyl)-2-methoxyphenyl]sulfamoyl]benzoic acid
CID 3881028
4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3380469

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate (CID 4585809) is ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1.
What is the InChIKey of ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate?
The InChIKey is UEDOYFOCQNPQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O8S2/c1-2-29-19(23)14-3-5-15(6-4-14)30(24,25)20-17-13-16(7-8-18(17)22)31(26,27)21-9-11-28-12-10-21/h3-8,13,20,22H,2,9-12H2,1H3.
What are the key properties of ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate?
ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate has a molecular weight of 470.53 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 4585809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).