N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

C14H14N2O3S — CID 135412016

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C14H14N2O3S/c1-11-6-8-13(9-7-11)20(18,19)16-15-10-12-4-2-3-5-14(12)17/h2-10,16-17H,1H3/b15-10+
InChIKeyAIOFIJOAQUYOST-XNTDXEJSSA-N
MW290.34 g/mol
LogP2.01
Rot. Bonds4

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

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135412016) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID135412016
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C14H14N2O3S/c1-11-6-8-13(9-7-11)20(18,19)16-15-10-12-4-2-3-5-14(12)17/h2-10,16-17H,1H3/b15-10+
InChIKeyAIOFIJOAQUYOST-XNTDXEJSSA-N
XLogP2.01
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.01
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-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 135412016) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is AIOFIJOAQUYOST-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-11-6-8-13(9-7-11)20(18,19)16-15-10-12-4-2-3-5-14(12)17/h2-10,16-17H,1H3/b15-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 290.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135412016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).