N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide

C16H18N2O4S — CID 5411715

IUPACN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C(C)=N\NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C16H18N2O4S/c1-12(13-9-10-15(21-2)16(11-13)22-3)17-18-23(19,20)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b17-12-
InChIKeyZEHUTGJKFLTPQQ-ATVHPVEESA-N
MW334.40 g/mol
LogP2.41
Rot. Bonds6

About N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide

N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 5411715) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide
PubChem CID5411715
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C(C)=N\NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C16H18N2O4S/c1-12(13-9-10-15(21-2)16(11-13)22-3)17-18-23(19,20)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b17-12-
InChIKeyZEHUTGJKFLTPQQ-ATVHPVEESA-N
XLogP2.41
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide (CID 5411715) is N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide is COc1ccc(/C(C)=N\NS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is ZEHUTGJKFLTPQQ-ATVHPVEESA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12(13-9-10-15(21-2)16(11-13)22-3)17-18-23(19,20)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b17-12-.
What are the key properties of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide?
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5411715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).