(NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide

C16H17NO3S — CID 134884464

IUPAC(NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/COCc2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-14-7-9-16(10-8-14)21(18,19)17-11-12-20-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b17-11+
InChIKeyTVMCAPZUFVBNTI-GZTJUZNOSA-N
MW303.38 g/mol
LogP2.97
Rot. Bonds6

About (NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide

(NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide (PubChem CID 134884464) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide
PubChem CID134884464
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/COCc2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-14-7-9-16(10-8-14)21(18,19)17-11-12-20-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b17-11+
InChIKeyTVMCAPZUFVBNTI-GZTJUZNOSA-N
XLogP2.97
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (NE)-4-methyl-N-(2-phenylmethoxyethylidene)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 (NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide (CID 134884464) is (NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C/COCc2ccccc2)cc1.
What is the InChIKey of (NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide?
The InChIKey is TVMCAPZUFVBNTI-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-14-7-9-16(10-8-14)21(18,19)17-11-12-20-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b17-11+.
What are the key properties of (NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide?
(NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-(2-phenylmethoxyethylidene)benzenesulfonamide is sourced from PubChem (CID 134884464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).