N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide

C23H21N3O4S — CID 155568297

IUPACN-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3cccc(O)c32)cc1
InChIInChI=1S/C23H21N3O4S/c1-26(18-7-3-2-4-8-18)31(29,30)19-13-10-17(11-14-19)23(28)25-24-20-15-12-16-6-5-9-21(27)22(16)20/h2-11,13-14,27H,12,15H2,1H3,(H,25,28)/b24-20+
InChIKeyYBKVAVAQQUEYIH-HIXSDJFHSA-N
MW435.51 g/mol
LogP3.30
Rot. Bonds5

About N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide

N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 155568297) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID155568297
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3cccc(O)c32)cc1
InChIInChI=1S/C23H21N3O4S/c1-26(18-7-3-2-4-8-18)31(29,30)19-13-10-17(11-14-19)23(28)25-24-20-15-12-16-6-5-9-21(27)22(16)20/h2-11,13-14,27H,12,15H2,1H3,(H,25,28)/b24-20+
InChIKeyYBKVAVAQQUEYIH-HIXSDJFHSA-N
XLogP3.30
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.30
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 N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 155568297) is N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3cccc(O)c32)cc1.
What is the InChIKey of N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is YBKVAVAQQUEYIH-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-26(18-7-3-2-4-8-18)31(29,30)19-13-10-17(11-14-19)23(28)25-24-20-15-12-16-6-5-9-21(27)22(16)20/h2-11,13-14,27H,12,15H2,1H3,(H,25,28)/b24-20+.
What are the key properties of N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 435.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 155568297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).