4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide

C22H20N2O3S — CID 6014303

IUPAC4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/CC(c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C22H20N2O3S/c1-16-11-13-18(14-12-16)28(25,26)24-23-20-15-22(17-7-3-2-4-8-17)27-21-10-6-5-9-19(20)21/h2-14,22,24H,15H2,1H3/b23-20-
InChIKeyRVFWHCHTJGABLD-ATJXCDBQSA-N
MW392.48 g/mol
LogP4.20
Rot. Bonds4

About 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide

4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide (PubChem CID 6014303) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
PubChem CID6014303
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/CC(c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C22H20N2O3S/c1-16-11-13-18(14-12-16)28(25,26)24-23-20-15-22(17-7-3-2-4-8-17)27-21-10-6-5-9-19(20)21/h2-14,22,24H,15H2,1H3/b23-20-
InChIKeyRVFWHCHTJGABLD-ATJXCDBQSA-N
XLogP4.20
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.20
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 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]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 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide (CID 6014303) is 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2/CC(c3ccccc3)Oc3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The InChIKey is RVFWHCHTJGABLD-ATJXCDBQSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-16-11-13-18(14-12-16)28(25,26)24-23-20-15-22(17-7-3-2-4-8-17)27-21-10-6-5-9-19(20)21/h2-14,22,24H,15H2,1H3/b23-20-.
What are the key properties of 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 6014303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).