N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide

C9H12N2O3S — CID 137228781

IUPACN-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide
SMILESCCS(=O)(=O)NN=Cc1ccccc1O
InChIInChI=1S/C9H12N2O3S/c1-2-15(13,14)11-10-7-8-5-3-4-6-9(8)12/h3-7,11-12H,2H2,1H3
InChIKeyCCEGRWABQCVCKO-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.67
Rot. Bonds4

About N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide

N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide (PubChem CID 137228781) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide
PubChem CID137228781
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide
SMILESCCS(=O)(=O)NN=Cc1ccccc1O
InChIInChI=1S/C9H12N2O3S/c1-2-15(13,14)11-10-7-8-5-3-4-6-9(8)12/h3-7,11-12H,2H2,1H3
InChIKeyCCEGRWABQCVCKO-UHFFFAOYSA-N
XLogP0.67
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.67
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-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide (CID 137228781) is N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide is CCS(=O)(=O)NN=Cc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide?
The InChIKey is CCEGRWABQCVCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-2-15(13,14)11-10-7-8-5-3-4-6-9(8)12/h3-7,11-12H,2H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide?
N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide has a molecular weight of 228.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide is sourced from PubChem (CID 137228781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).