N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide

C16H18N2O3S — CID 6892732

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C16H18N2O3S/c1-12-7-8-13(2)16(9-12)22(19,20)18-17-11-14-5-4-6-15(10-14)21-3/h4-11,18H,1-3H3/b17-11+
InChIKeyJJJDDXGNYAEEMT-GZTJUZNOSA-N
MW318.40 g/mol
LogP2.62
Rot. Bonds5

About N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide

N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 6892732) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
PubChem CID6892732
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C16H18N2O3S/c1-12-7-8-13(2)16(9-12)22(19,20)18-17-11-14-5-4-6-15(10-14)21-3/h4-11,18H,1-3H3/b17-11+
InChIKeyJJJDDXGNYAEEMT-GZTJUZNOSA-N
XLogP2.62
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517904
5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 110515892
2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110518057
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517879
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 5171617
2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide
CID 4028994

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide (CID 6892732) is N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide is COc1cccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is JJJDDXGNYAEEMT-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-7-8-13(2)16(9-12)22(19,20)18-17-11-14-5-4-6-15(10-14)21-3/h4-11,18H,1-3H3/b17-11+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 6892732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).