5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide

C16H18N2O4S — CID 135855210

IUPAC5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
SMILESCCOc1cccc(/C=N/c2ccc(C)c(S(N)(=O)=O)c2)c1O
InChIInChI=1S/C16H18N2O4S/c1-3-22-14-6-4-5-12(16(14)19)10-18-13-8-7-11(2)15(9-13)23(17,20)21/h4-10,19H,3H2,1-2H3,(H2,17,20,21)/b18-10+
InChIKeyBQUJYGOZIHGBDW-VCHYOVAHSA-N
MW334.40 g/mol
LogP2.50
Rot. Bonds5

About 5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide

5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide (PubChem CID 135855210) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
PubChem CID135855210
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
SMILESCCOc1cccc(/C=N/c2ccc(C)c(S(N)(=O)=O)c2)c1O
InChIInChI=1S/C16H18N2O4S/c1-3-22-14-6-4-5-12(16(14)19)10-18-13-8-7-11(2)15(9-13)23(17,20)21/h4-10,19H,3H2,1-2H3,(H2,17,20,21)/b18-10+
InChIKeyBQUJYGOZIHGBDW-VCHYOVAHSA-N
XLogP2.50
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol
CID 135595869
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol
CID 3465274
2-ethoxy-6-(pyridin-3-yliminomethyl)phenol
CID 135840457
N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide
CID 135633736
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide (CID 135855210) is 5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide is CCOc1cccc(/C=N/c2ccc(C)c(S(N)(=O)=O)c2)c1O.
What is the InChIKey of 5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide?
The InChIKey is BQUJYGOZIHGBDW-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-22-14-6-4-5-12(16(14)19)10-18-13-8-7-11(2)15(9-13)23(17,20)21/h4-10,19H,3H2,1-2H3,(H2,17,20,21)/b18-10+.
What are the key properties of 5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide?
5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 135855210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).