N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide

C13H12N2O3S — CID 135685199

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c16-13-9-5-4-6-11(13)10-14-15-19(17,18)12-7-2-1-3-8-12/h1-10,15-16H/b14-10+
InChIKeyMXTXWBPFOOGGLL-GXDHUFHOSA-N
MW276.32 g/mol
LogP1.70
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 135685199) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID135685199
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c16-13-9-5-4-6-11(13)10-14-15-19(17,18)12-7-2-1-3-8-12/h1-10,15-16H/b14-10+
InChIKeyMXTXWBPFOOGGLL-GXDHUFHOSA-N
XLogP1.70
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.70
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]benzenesulfonamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 135685199) is N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1ccccc1O)c1ccccc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is MXTXWBPFOOGGLL-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-13-9-5-4-6-11(13)10-14-15-19(17,18)12-7-2-1-3-8-12/h1-10,15-16H/b14-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.70, 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]benzenesulfonamide is sourced from PubChem (CID 135685199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).