4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide

C18H16N2O2S — CID 587714

IUPAC4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O2S/c1-14-9-11-17(12-10-14)23(21,22)20-19-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-13,20H,1H3
InChIKeyCMKXASNGUWWZET-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.46
Rot. Bonds4

About 4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide

4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide (PubChem CID 587714) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide
PubChem CID587714
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O2S/c1-14-9-11-17(12-10-14)23(21,22)20-19-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-13,20H,1H3
InChIKeyCMKXASNGUWWZET-UHFFFAOYSA-N
XLogP3.46
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.46
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'}

Analyze 4-methyl-N-(naphthalen-1-ylmethylideneamino)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-(naphthalen-1-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide (CID 587714) is 4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2cccc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide?
The InChIKey is CMKXASNGUWWZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-14-9-11-17(12-10-14)23(21,22)20-19-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-13,20H,1H3.
What are the key properties of 4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide?
4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(naphthalen-1-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 587714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).