3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide

C19H23N3O5S — CID 135520033

IUPAC3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)c1
InChIInChI=1S/C19H23N3O5S/c1-4-22(5-2)28(26,27)16-8-6-7-14(11-16)19(25)21-20-13(3)17-10-9-15(23)12-18(17)24/h6-12,23-24H,4-5H2,1-3H3,(H,21,25)/b20-13+
InChIKeyBTSAYBKBDLQAJE-DEDYPNTBSA-N
MW405.48 g/mol
LogP2.28
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide

3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide (PubChem CID 135520033) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
PubChem CID135520033
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)c1
InChIInChI=1S/C19H23N3O5S/c1-4-22(5-2)28(26,27)16-8-6-7-14(11-16)19(25)21-20-13(3)17-10-9-15(23)12-18(17)24/h6-12,23-24H,4-5H2,1-3H3,(H,21,25)/b20-13+
InChIKeyBTSAYBKBDLQAJE-DEDYPNTBSA-N
XLogP2.28
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide (CID 135520033) is 3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is BTSAYBKBDLQAJE-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-4-22(5-2)28(26,27)16-8-6-7-14(11-16)19(25)21-20-13(3)17-10-9-15(23)12-18(17)24/h6-12,23-24H,4-5H2,1-3H3,(H,21,25)/b20-13+.
What are the key properties of 3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide?
3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 405.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 135520033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).