2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide

C29H25N3O3S — CID 69456534

IUPAC2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C=C2C(=O)Nc3ccccc32)cc(NCc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C29H25N3O3S/c30-36(34,35)28-18-22(16-24-23-13-7-8-14-26(23)32-29(24)33)17-27(31-19-21-11-5-2-6-12-21)25(28)15-20-9-3-1-4-10-20/h1-14,16-18,31H,15,19H2,(H,32,33)(H2,30,34,35)
InChIKeyVIIKJPBLEFVHHS-UHFFFAOYSA-N
MW495.60 g/mol
LogP5.03
Rot. Bonds7

About 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide

2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide (PubChem CID 69456534) has the molecular formula C29H25N3O3S and a molecular weight of 495.60 g/mol. Its IUPAC name is 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
PubChem CID69456534
Molecular FormulaC29H25N3O3S
Molecular Weight495.60 g/mol
Exact Mass495.16
IUPAC Name2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C=C2C(=O)Nc3ccccc32)cc(NCc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C29H25N3O3S/c30-36(34,35)28-18-22(16-24-23-13-7-8-14-26(23)32-29(24)33)17-27(31-19-21-11-5-2-6-12-21)25(28)15-20-9-3-1-4-10-20/h1-14,16-18,31H,15,19H2,(H,32,33)(H2,30,34,35)
InChIKeyVIIKJPBLEFVHHS-UHFFFAOYSA-N
XLogP5.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.60
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The IUPAC name of 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide (CID 69456534) is 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide.
What is the SMILES notation for 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The canonical SMILES for 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide is NS(=O)(=O)c1cc(C=C2C(=O)Nc3ccccc32)cc(NCc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The InChIKey is VIIKJPBLEFVHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3S/c30-36(34,35)28-18-22(16-24-23-13-7-8-14-26(23)32-29(24)33)17-27(31-19-21-11-5-2-6-12-21)25(28)15-20-9-3-1-4-10-20/h1-14,16-18,31H,15,19H2,(H,32,33)(H2,30,34,35).
What are the key properties of 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide has a molecular weight of 495.60 g/mol, XLogP of 5.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(benzylamino)-5-[(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide is sourced from PubChem (CID 69456534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).