N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide

C16H18N2O5S — CID 162655467

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C16H18N2O5S/c1-21-13-5-7-14(8-6-13)24(19,20)18-17-11-12-4-9-15(22-2)16(10-12)23-3/h4-11,18H,1-3H3/b17-11+
InChIKeyRMOOHIOANSYCMR-GZTJUZNOSA-N
MW350.40 g/mol
LogP2.02
Rot. Bonds7

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 162655467) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
PubChem CID162655467
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C16H18N2O5S/c1-21-13-5-7-14(8-6-13)24(19,20)18-17-11-12-4-9-15(22-2)16(10-12)23-3/h4-11,18H,1-3H3/b17-11+
InChIKeyRMOOHIOANSYCMR-GZTJUZNOSA-N
XLogP2.02
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide (CID 162655467) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is RMOOHIOANSYCMR-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-21-13-5-7-14(8-6-13)24(19,20)18-17-11-12-4-9-15(22-2)16(10-12)23-3/h4-11,18H,1-3H3/b17-11+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 162655467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).