4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide

C13H14N2O2S2 — CID 5337684

IUPAC4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C13H14N2O2S2/c1-10-5-7-12(8-6-10)19(16,17)15-14-11(2)13-4-3-9-18-13/h3-9,15H,1-2H3/b14-11+
InChIKeyQYIGWVSKOVPXJX-SDNWHVSQSA-N
MW294.40 g/mol
LogP2.76
Rot. Bonds4

About 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide

4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide (PubChem CID 5337684) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide
PubChem CID5337684
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C13H14N2O2S2/c1-10-5-7-12(8-6-10)19(16,17)15-14-11(2)13-4-3-9-18-13/h3-9,15H,1-2H3/b14-11+
InChIKeyQYIGWVSKOVPXJX-SDNWHVSQSA-N
XLogP2.76
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide (CID 5337684) is 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccs1.
What is the InChIKey of 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide?
The InChIKey is QYIGWVSKOVPXJX-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-10-5-7-12(8-6-10)19(16,17)15-14-11(2)13-4-3-9-18-13/h3-9,15H,1-2H3/b14-11+.
What are the key properties of 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide has a molecular weight of 294.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5337684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).