(NE)-N-benzylidene-4-methoxybenzenesulfonamide

C14H13NO3S — CID 12598040

IUPAC(NE)-N-benzylidene-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H13NO3S/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-12-5-3-2-4-6-12/h2-11H,1H3/b15-11+
InChIKeyDVZXMYBBRQDXDG-RVDMUPIBSA-N
MW275.33 g/mol
LogP2.50
Rot. Bonds4

About (NE)-N-benzylidene-4-methoxybenzenesulfonamide

(NE)-N-benzylidene-4-methoxybenzenesulfonamide (PubChem CID 12598040) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is (NE)-N-benzylidene-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-benzylidene-4-methoxybenzenesulfonamide
PubChem CID12598040
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name(NE)-N-benzylidene-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H13NO3S/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-12-5-3-2-4-6-12/h2-11H,1H3/b15-11+
InChIKeyDVZXMYBBRQDXDG-RVDMUPIBSA-N
XLogP2.50
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (NE)-N-benzylidene-4-methoxybenzenesulfonamide 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)-N-benzylidene-4-methoxybenzenesulfonamide?
The IUPAC name of (NE)-N-benzylidene-4-methoxybenzenesulfonamide (CID 12598040) is (NE)-N-benzylidene-4-methoxybenzenesulfonamide.
What is the SMILES notation for (NE)-N-benzylidene-4-methoxybenzenesulfonamide?
The canonical SMILES for (NE)-N-benzylidene-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)/N=C/c2ccccc2)cc1.
What is the InChIKey of (NE)-N-benzylidene-4-methoxybenzenesulfonamide?
The InChIKey is DVZXMYBBRQDXDG-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-12-5-3-2-4-6-12/h2-11H,1H3/b15-11+.
What are the key properties of (NE)-N-benzylidene-4-methoxybenzenesulfonamide?
(NE)-N-benzylidene-4-methoxybenzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-benzylidene-4-methoxybenzenesulfonamide is sourced from PubChem (CID 12598040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).