(NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide

C14H13NO3S — CID 135431823

IUPAC(NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2ccccc2O)cc1
InChIInChI=1S/C14H13NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-10-12-4-2-3-5-14(12)16/h2-10,16H,1H3/b15-10+
InChIKeyHTRHOPJRRZCQJM-XNTDXEJSSA-N
MW275.33 g/mol
LogP2.51
Rot. Bonds3

About (NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide

(NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 135431823) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is (NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID135431823
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name(NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2ccccc2O)cc1
InChIInChI=1S/C14H13NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-10-12-4-2-3-5-14(12)16/h2-10,16H,1H3/b15-10+
InChIKeyHTRHOPJRRZCQJM-XNTDXEJSSA-N
XLogP2.51
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (NE)-N-[(2-hydroxyphenyl)methylidene]-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 (NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide (CID 135431823) is (NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C/c2ccccc2O)cc1.
What is the InChIKey of (NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is HTRHOPJRRZCQJM-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-10-12-4-2-3-5-14(12)16/h2-10,16H,1H3/b15-10+.
What are the key properties of (NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
(NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135431823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).