3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide

C20H23N3O4S — CID 155553511

IUPAC3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\CCc3cccc(O)c32)c1
InChIInChI=1S/C20H23N3O4S/c1-3-23(4-2)28(26,27)16-9-5-8-15(13-16)20(25)22-21-17-12-11-14-7-6-10-18(24)19(14)17/h5-10,13,24H,3-4,11-12H2,1-2H3,(H,22,25)/b21-17+
InChIKeyLXSJRDBTFNYOJY-HEHNFIMWSA-N
MW401.49 g/mol
LogP2.50
Rot. Bonds6

About 3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide

3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide (PubChem CID 155553511) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
PubChem CID155553511
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\CCc3cccc(O)c32)c1
InChIInChI=1S/C20H23N3O4S/c1-3-23(4-2)28(26,27)16-9-5-8-15(13-16)20(25)22-21-17-12-11-14-7-6-10-18(24)19(14)17/h5-10,13,24H,3-4,11-12H2,1-2H3,(H,22,25)/b21-17+
InChIKeyLXSJRDBTFNYOJY-HEHNFIMWSA-N
XLogP2.50
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide (CID 155553511) is 3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\CCc3cccc(O)c32)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The InChIKey is LXSJRDBTFNYOJY-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-23(4-2)28(26,27)16-9-5-8-15(13-16)20(25)22-21-17-12-11-14-7-6-10-18(24)19(14)17/h5-10,13,24H,3-4,11-12H2,1-2H3,(H,22,25)/b21-17+.
What are the key properties of 3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide is sourced from PubChem (CID 155553511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).