N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide

C19H21N3O5S — CID 135675886

IUPACN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(O)cc1
InChIInChI=1S/C19H21N3O5S/c1-14(15-5-7-17(23)8-6-15)20-21-19(24)16-3-2-4-18(13-16)28(25,26)22-9-11-27-12-10-22/h2-8,13,23H,9-12H2,1H3,(H,21,24)/b20-14+
InChIKeyVMKKVUKVBOJQLY-XSFVSMFZSA-N
MW403.46 g/mol
LogP1.57
Rot. Bonds5

About N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide

N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 135675886) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID135675886
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(O)cc1
InChIInChI=1S/C19H21N3O5S/c1-14(15-5-7-17(23)8-6-15)20-21-19(24)16-3-2-4-18(13-16)28(25,26)22-9-11-27-12-10-22/h2-8,13,23H,9-12H2,1H3,(H,21,24)/b20-14+
InChIKeyVMKKVUKVBOJQLY-XSFVSMFZSA-N
XLogP1.57
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 135675886) is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide is C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VMKKVUKVBOJQLY-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-14(15-5-7-17(23)8-6-15)20-21-19(24)16-3-2-4-18(13-16)28(25,26)22-9-11-27-12-10-22/h2-8,13,23H,9-12H2,1H3,(H,21,24)/b20-14+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 403.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 135675886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).