N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide

C22H18N2O2S — CID 6876730

IUPACN-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-10-12-19(13-11-16)27(25,26)24-23-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)22/h2-15,24H,1H3/b23-15+
InChIKeyGRTHRNWYJRZGOB-HZHRSRAPSA-N
MW374.47 g/mol
LogP4.61
Rot. Bonds4

About N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide

N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 6876730) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide
PubChem CID6876730
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-10-12-19(13-11-16)27(25,26)24-23-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)22/h2-15,24H,1H3/b23-15+
InChIKeyGRTHRNWYJRZGOB-HZHRSRAPSA-N
XLogP4.61
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide 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)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide (CID 6876730) is N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is GRTHRNWYJRZGOB-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-16-10-12-19(13-11-16)27(25,26)24-23-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)22/h2-15,24H,1H3/b23-15+.
What are the key properties of N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6876730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).