(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide

C16H17NO4S — CID 110518819

IUPAC(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide
SMILESCCOc1cccc(/C=N\S(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C16H17NO4S/c1-3-21-15-11-7-8-13(16(15)20-2)12-17-22(18,19)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3/b17-12-
InChIKeyBYCIBPSRCHULCI-ATVHPVEESA-N
MW319.38 g/mol
LogP2.90
Rot. Bonds6

About (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide

(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide (PubChem CID 110518819) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide
PubChem CID110518819
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide
SMILESCCOc1cccc(/C=N\S(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C16H17NO4S/c1-3-21-15-11-7-8-13(16(15)20-2)12-17-22(18,19)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3/b17-12-
InChIKeyBYCIBPSRCHULCI-ATVHPVEESA-N
XLogP2.90
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518625
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
4-bromo-N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516039
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664
(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide
CID 110518805
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515359
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518761
(NZ)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518758
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110518068
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
3-ethoxy-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79227554

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide (CID 110518819) is (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide is CCOc1cccc(/C=N\S(=O)(=O)c2ccccc2)c1OC.
What is the InChIKey of (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide?
The InChIKey is BYCIBPSRCHULCI-ATVHPVEESA-N. The full InChI is InChI=1S/C16H17NO4S/c1-3-21-15-11-7-8-13(16(15)20-2)12-17-22(18,19)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3/b17-12-.
What are the key properties of (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide?
(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 110518819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).