3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide

C16H17ClN2O3S — CID 78766577

IUPAC3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CO/N=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-19(2)23(20,21)16-5-3-4-14(10-16)12-22-18-11-13-6-8-15(17)9-7-13/h3-11H,12H2,1-2H3/b18-11+
InChIKeyGGWXJGSHZZHIIN-WOJGMQOQSA-N
MW352.84 g/mol
LogP3.14
Rot. Bonds6

About 3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide

3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 78766577) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID78766577
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CO/N=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-19(2)23(20,21)16-5-3-4-14(10-16)12-22-18-11-13-6-8-15(17)9-7-13/h3-11H,12H2,1-2H3/b18-11+
InChIKeyGGWXJGSHZZHIIN-WOJGMQOQSA-N
XLogP3.14
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.14
H-Bond Donors ≤ 50
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

1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine
CID 134051370
N-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856157
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581900
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
3-[(3-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 30024854
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
3-[(3,5-dimethylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 112787329
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
CID 73380524
(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878758

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide (CID 78766577) is 3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CO/N=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is GGWXJGSHZZHIIN-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-19(2)23(20,21)16-5-3-4-14(10-16)12-22-18-11-13-6-8-15(17)9-7-13/h3-11H,12H2,1-2H3/b18-11+.
What are the key properties of 3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide?
3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 352.84 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 78766577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).