N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide

C15H14Cl2N2O3S — CID 6908616

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O3S/c1-2-22-13-5-7-14(8-6-13)23(20,21)19-18-10-11-3-4-12(16)9-15(11)17/h3-10,19H,2H2,1H3/b18-10+
InChIKeyJWMOHVOLSJSCOX-VCHYOVAHSA-N
MW373.26 g/mol
LogP3.70
Rot. Bonds6

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide (PubChem CID 6908616) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
PubChem CID6908616
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O3S/c1-2-22-13-5-7-14(8-6-13)23(20,21)19-18-10-11-3-4-12(16)9-15(11)17/h3-10,19H,2H2,1H3/b18-10+
InChIKeyJWMOHVOLSJSCOX-VCHYOVAHSA-N
XLogP3.70
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.70
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-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516704
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516729
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643188
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 2244299
N-[(2,4-dichlorophenyl)methylideneamino]methanesulfonamide
CID 867204
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide (CID 6908616) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide?
The InChIKey is JWMOHVOLSJSCOX-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c1-2-22-13-5-7-14(8-6-13)23(20,21)19-18-10-11-3-4-12(16)9-15(11)17/h3-10,19H,2H2,1H3/b18-10+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide has a molecular weight of 373.26 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 6908616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).