N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide

C15H14BrClN2O4S — CID 110516279

IUPACN-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1OC
InChIInChI=1S/C15H14BrClN2O4S/c1-22-13-8-3-10(14(16)15(13)23-2)9-18-19-24(20,21)12-6-4-11(17)5-7-12/h3-9,19H,1-2H3/b18-9+
InChIKeyGAQXQSMOLTVAFX-GIJQJNRQSA-N
MW433.71 g/mol
LogP3.43
Rot. Bonds6

About N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide

N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide (PubChem CID 110516279) has the molecular formula C15H14BrClN2O4S and a molecular weight of 433.71 g/mol. Its IUPAC name is N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
PubChem CID110516279
Molecular FormulaC15H14BrClN2O4S
Molecular Weight433.71 g/mol
Exact Mass431.95
IUPAC NameN-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1OC
InChIInChI=1S/C15H14BrClN2O4S/c1-22-13-8-3-10(14(16)15(13)23-2)9-18-19-24(20,21)12-6-4-11(17)5-7-12/h3-9,19H,1-2H3/b18-9+
InChIKeyGAQXQSMOLTVAFX-GIJQJNRQSA-N
XLogP3.43
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.71
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-bromo-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2590678
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517529
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516729
4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643188
4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2692993
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001980
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001778
4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
CID 6898223
N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135647628
[4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 6008417
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 135519253
4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516295

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide (CID 110516279) is N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide is COc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1OC.
What is the InChIKey of N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
The InChIKey is GAQXQSMOLTVAFX-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H14BrClN2O4S/c1-22-13-8-3-10(14(16)15(13)23-2)9-18-19-24(20,21)12-6-4-11(17)5-7-12/h3-9,19H,1-2H3/b18-9+.
What are the key properties of N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide has a molecular weight of 433.71 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 110516279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).