N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide

C15H15NO4S — CID 681538

IUPACN-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide
SMILESCOc1ccc(C=NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C15H15NO4S/c1-19-14-9-8-12(10-15(14)20-2)11-16-21(17,18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyZJTRTMFOBBAWRA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.51
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide

N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide (PubChem CID 681538) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide
PubChem CID681538
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide
SMILESCOc1ccc(C=NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C15H15NO4S/c1-19-14-9-8-12(10-15(14)20-2)11-16-21(17,18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyZJTRTMFOBBAWRA-UHFFFAOYSA-N
XLogP2.51
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide (CID 681538) is N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide is COc1ccc(C=NS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide?
The InChIKey is ZJTRTMFOBBAWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-19-14-9-8-12(10-15(14)20-2)11-16-21(17,18)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide?
N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 681538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).