N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide

C15H15ClN2O3S — CID 2643147

IUPACN-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-2-21-14-7-9-15(10-8-14)22(19,20)18-17-11-12-3-5-13(16)6-4-12/h3-11,18H,2H2,1H3
InChIKeyOIPFKPFYYZFZEF-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.05
Rot. Bonds6

About N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide

N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide (PubChem CID 2643147) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
PubChem CID2643147
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-2-21-14-7-9-15(10-8-14)22(19,20)18-17-11-12-3-5-13(16)6-4-12/h3-11,18H,2H2,1H3
InChIKeyOIPFKPFYYZFZEF-UHFFFAOYSA-N
XLogP3.05
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.05
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

4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516704
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 6908616
4-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 5431289
4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide
CID 3376258
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908628
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136873392
4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
CID 3594304

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide (CID 2643147) is N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NN=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide?
The InChIKey is OIPFKPFYYZFZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-2-21-14-7-9-15(10-8-14)22(19,20)18-17-11-12-3-5-13(16)6-4-12/h3-11,18H,2H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide?
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide has a molecular weight of 338.82 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 2643147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).