3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide

C13H14N2O4S2 — CID 110517561

IUPAC3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2cccs2)cc1OC
InChIInChI=1S/C13H14N2O4S2/c1-18-12-6-5-11(8-13(12)19-2)21(16,17)15-14-9-10-4-3-7-20-10/h3-9,15H,1-2H3/b14-9+
InChIKeyOKTIRZMTUYRDKL-NTEUORMPSA-N
MW326.40 g/mol
LogP2.08
Rot. Bonds6

About 3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide

3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide (PubChem CID 110517561) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
PubChem CID110517561
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2cccs2)cc1OC
InChIInChI=1S/C13H14N2O4S2/c1-18-12-6-5-11(8-13(12)19-2)21(16,17)15-14-9-10-4-3-7-20-10/h3-9,15H,1-2H3/b14-9+
InChIKeyOKTIRZMTUYRDKL-NTEUORMPSA-N
XLogP2.08
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 5407738
2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 6131907
3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517450
4-chloro-N-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 874023
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135958003
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135873358
N-[(E)-(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517477
3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110517456
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517434
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517514
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517529
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide (CID 110517561) is 3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C/c2cccs2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The InChIKey is OKTIRZMTUYRDKL-NTEUORMPSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-18-12-6-5-11(8-13(12)19-2)21(16,17)15-14-9-10-4-3-7-20-10/h3-9,15H,1-2H3/b14-9+.
What are the key properties of 3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide has a molecular weight of 326.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 110517561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).