3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide

C15H14Cl2N2O4S — CID 110516191

IUPAC3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(OC)c(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O4S/c1-22-11-3-6-15(23-2)10(7-11)9-18-19-24(20,21)12-4-5-13(16)14(17)8-12/h3-9,19H,1-2H3/b18-9+
InChIKeyCUOQADBTQLOXKD-GIJQJNRQSA-N
MW389.26 g/mol
LogP3.32
Rot. Bonds6

About 3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide

3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 110516191) has the molecular formula C15H14Cl2N2O4S and a molecular weight of 389.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID110516191
Molecular FormulaC15H14Cl2N2O4S
Molecular Weight389.26 g/mol
Exact Mass388.01
IUPAC Name3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(OC)c(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O4S/c1-22-11-3-6-15(23-2)10(7-11)9-18-19-24(20,21)12-4-5-13(16)14(17)8-12/h3-9,19H,1-2H3/b18-9+
InChIKeyCUOQADBTQLOXKD-GIJQJNRQSA-N
XLogP3.32
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.32
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

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517257
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 25169959
3,4-dichloro-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516081
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 3991034
3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517450
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908544
2,5-dimethoxy-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]benzenesulfonamide
CID 110516624
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517529
3,4-dichloro-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516135
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
CID 19659942
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001980

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 110516191) is 3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide is COc1ccc(OC)c(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is CUOQADBTQLOXKD-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4S/c1-22-11-3-6-15(23-2)10(7-11)9-18-19-24(20,21)12-4-5-13(16)14(17)8-12/h3-9,19H,1-2H3/b18-9+.
What are the key properties of 3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 389.26 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110516191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).