(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide

C16H16BrNO4S — CID 136873764

IUPAC(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O
InChIInChI=1S/C16H16BrNO4S/c1-3-22-15-9-12(8-14(17)16(15)19)10-18-23(20,21)13-6-4-11(2)5-7-13/h4-10,19H,3H2,1-2H3/b18-10-
InChIKeyXWVIZPRTAWDLIJ-ZDLGFXPLSA-N
MW398.28 g/mol
LogP3.67
Rot. Bonds5

About (NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide

(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 136873764) has the molecular formula C16H16BrNO4S and a molecular weight of 398.28 g/mol. Its IUPAC name is (NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID136873764
Molecular FormulaC16H16BrNO4S
Molecular Weight398.28 g/mol
Exact Mass397.00
IUPAC Name(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O
InChIInChI=1S/C16H16BrNO4S/c1-3-22-15-9-12(8-14(17)16(15)19)10-18-23(20,21)13-6-4-11(2)5-7-13/h4-10,19H,3H2,1-2H3/b18-10-
InChIKeyXWVIZPRTAWDLIJ-ZDLGFXPLSA-N
XLogP3.67
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-chlorobenzenesulfonamide
CID 135688610
(NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide
CID 136873760
2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
CID 4155437
(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518761
N'-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 3985767
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135419694
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 136873475
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 110519011
2-bromo-4-[(3,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 137059390
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 1369575
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 136849979
[2-bromo-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126205142

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide (CID 136873764) is (NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide is CCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O.
What is the InChIKey of (NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is XWVIZPRTAWDLIJ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H16BrNO4S/c1-3-22-15-9-12(8-14(17)16(15)19)10-18-23(20,21)13-6-4-11(2)5-7-13/h4-10,19H,3H2,1-2H3/b18-10-.
What are the key properties of (NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 398.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 136873764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).