N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide

C15H16N2O4S — CID 5414255

IUPACN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cccc(/C=N\NS(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C15H16N2O4S/c1-20-14-10-6-7-12(15(14)21-2)11-16-17-22(18,19)13-8-4-3-5-9-13/h3-11,17H,1-2H3/b16-11-
InChIKeyNREKWUSSKKIKRO-WJDWOHSUSA-N
MW320.37 g/mol
LogP2.02
Rot. Bonds6

About N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide

N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 5414255) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID5414255
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cccc(/C=N\NS(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C15H16N2O4S/c1-20-14-10-6-7-12(15(14)21-2)11-16-17-22(18,19)13-8-4-3-5-9-13/h3-11,17H,1-2H3/b16-11-
InChIKeyNREKWUSSKKIKRO-WJDWOHSUSA-N
XLogP2.02
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.02
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-methoxyphenyl)methylidene]benzenesulfonohydrazide
CID 5335248
N'-(4-Methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 5331359
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]benzenesulfonohydrazide
CID 5350534
N'-[(1E)-(2,3,5-trimethoxyphenyl)methylene]benzenesulfonohydrazide
CID 5348459
N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,4-dimethylbenzenesulfonohydrazide
CID 25237236
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-fluorobenzenesulfonamide
CID 56642872
[2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl] benzenesulfonate
CID 6872655
2-Ethoxy-4-[2-(phenylsulfonyl)carbohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6872794
2-Methoxy-4-[2-(phenylsulfonyl)carbonohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6894276
N'-(1,3-benzodioxol-5-ylmethylene)-4-methoxybenzenesulfonohydrazide
CID 5407732
N'-[1-(3,4-dimethoxyphenyl)ethylidene]benzenesulfonohydrazide
CID 5411715

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 5414255) is N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide is COc1cccc(/C=N\NS(=O)(=O)c2ccccc2)c1OC.
What is the InChIKey of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is NREKWUSSKKIKRO-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-14-10-6-7-12(15(14)21-2)11-16-17-22(18,19)13-8-4-3-5-9-13/h3-11,17H,1-2H3/b16-11-.
What are the key properties of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5414255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).