4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide

C19H24N2O2S — CID 90656464

IUPAC4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(11-7-15)24(20,22)23/h4-11,14H,12-13H2,1-3H3,(H2,20,22,23)/b21-14+
InChIKeyDMWIEQWZHDUQHE-KGENOOAVSA-N
MW344.48 g/mol
LogP3.29
Rot. Bonds5

About 4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide

4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 90656464) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID90656464
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(11-7-15)24(20,22)23/h4-11,14H,12-13H2,1-3H3,(H2,20,22,23)/b21-14+
InChIKeyDMWIEQWZHDUQHE-KGENOOAVSA-N
XLogP3.29
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]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-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide (CID 90656464) is 4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide is CC(C)(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is DMWIEQWZHDUQHE-KGENOOAVSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(11-7-15)24(20,22)23/h4-11,14H,12-13H2,1-3H3,(H2,20,22,23)/b21-14+.
What are the key properties of 4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 90656464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).