4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide

C16H18N2O4S — CID 135595468

IUPAC4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESCOc1ccc(O)c(/C=N/CCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+
InChIKeyLSPMDOZRUGYOQF-WOJGMQOQSA-N
MW334.40 g/mol
LogP1.71
Rot. Bonds6

About 4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide

4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 135595468) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID135595468
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESCOc1ccc(O)c(/C=N/CCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+
InChIKeyLSPMDOZRUGYOQF-WOJGMQOQSA-N
XLogP1.71
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide (CID 135595468) is 4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide is COc1ccc(O)c(/C=N/CCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is LSPMDOZRUGYOQF-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+.
What are the key properties of 4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 135595468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).