N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

C13H11ClN2O3S — CID 135607515

IUPACN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C13H11ClN2O3S/c14-11-6-7-13(17)10(8-11)9-15-16-20(18,19)12-4-2-1-3-5-12/h1-9,16-17H/b15-9+
InChIKeyZVBMHPHWYIUCGG-OQLLNIDSSA-N
MW310.76 g/mol
LogP2.36
Rot. Bonds4

About N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 135607515) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID135607515
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C13H11ClN2O3S/c14-11-6-7-13(17)10(8-11)9-15-16-20(18,19)12-4-2-1-3-5-12/h1-9,16-17H/b15-9+
InChIKeyZVBMHPHWYIUCGG-OQLLNIDSSA-N
XLogP2.36
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.36
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)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 135607515) is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1cc(Cl)ccc1O)c1ccccc1.
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is ZVBMHPHWYIUCGG-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c14-11-6-7-13(17)10(8-11)9-15-16-20(18,19)12-4-2-1-3-5-12/h1-9,16-17H/b15-9+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 310.76 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 135607515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).