N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

C14H14N2O4S — CID 135470788

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C14H14N2O4S/c1-10-2-6-13(7-3-10)21(19,20)16-15-9-11-4-5-12(17)8-14(11)18/h2-9,16-18H,1H3/b15-9+
InChIKeyMXRSKWGCPXFRBC-OQLLNIDSSA-N
MW306.34 g/mol
LogP1.72
Rot. Bonds4

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135470788) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID135470788
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C14H14N2O4S/c1-10-2-6-13(7-3-10)21(19,20)16-15-9-11-4-5-12(17)8-14(11)18/h2-9,16-18H,1H3/b15-9+
InChIKeyMXRSKWGCPXFRBC-OQLLNIDSSA-N
XLogP1.72
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-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 N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 135470788) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is MXRSKWGCPXFRBC-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-2-6-13(7-3-10)21(19,20)16-15-9-11-4-5-12(17)8-14(11)18/h2-9,16-18H,1H3/b15-9+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135470788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).