N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide

C15H16N2O3S — CID 136505197

IUPACN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cc(C)ccc2O)cc1
InChIInChI=1S/C15H16N2O3S/c1-11-3-6-14(7-4-11)21(19,20)17-16-10-13-9-12(2)5-8-15(13)18/h3-10,17-18H,1-2H3/b16-10+
InChIKeyBMURTKHRSKFGAV-MHWRWJLKSA-N
MW304.37 g/mol
LogP2.32
Rot. Bonds4

About N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 136505197) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID136505197
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cc(C)ccc2O)cc1
InChIInChI=1S/C15H16N2O3S/c1-11-3-6-14(7-4-11)21(19,20)17-16-10-13-9-12(2)5-8-15(13)18/h3-10,17-18H,1-2H3/b16-10+
InChIKeyBMURTKHRSKFGAV-MHWRWJLKSA-N
XLogP2.32
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 136505197) is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2cc(C)ccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is BMURTKHRSKFGAV-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11-3-6-14(7-4-11)21(19,20)17-16-10-13-9-12(2)5-8-15(13)18/h3-10,17-18H,1-2H3/b16-10+.
What are the key properties of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 136505197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).