N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide

C22H19N3O2S — CID 6894189

IUPACN-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H19N3O2S/c26-28(27,20-11-5-2-6-12-20)24-23-15-19-17-25(16-18-9-3-1-4-10-18)22-14-8-7-13-21(19)22/h1-15,17,24H,16H2/b23-15+
InChIKeyTYFHLNFSLBQEQI-HZHRSRAPSA-N
MW389.48 g/mol
LogP4.00
Rot. Bonds6

About N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide

N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 6894189) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide
PubChem CID6894189
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H19N3O2S/c26-28(27,20-11-5-2-6-12-20)24-23-15-19-17-25(16-18-9-3-1-4-10-18)22-14-8-7-13-21(19)22/h1-15,17,24H,16H2/b23-15+
InChIKeyTYFHLNFSLBQEQI-HZHRSRAPSA-N
XLogP4.00
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(1-benzylindol-3-yl)methylideneamino]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 N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide (CID 6894189) is N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is TYFHLNFSLBQEQI-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-28(27,20-11-5-2-6-12-20)24-23-15-19-17-25(16-18-9-3-1-4-10-18)22-14-8-7-13-21(19)22/h1-15,17,24H,16H2/b23-15+.
What are the key properties of N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide?
N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6894189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).