2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide

C13H13NO2S2 — CID 2336231

IUPAC2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)N=Cc1cccs1
InChIInChI=1S/C13H13NO2S2/c15-18(16,14-11-13-7-4-9-17-13)10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2
InChIKeyMATYVFNCSUKKKF-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.74
Rot. Bonds5

About 2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide

2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide (PubChem CID 2336231) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide
PubChem CID2336231
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC Name2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)N=Cc1cccs1
InChIInChI=1S/C13H13NO2S2/c15-18(16,14-11-13-7-4-9-17-13)10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2
InChIKeyMATYVFNCSUKKKF-UHFFFAOYSA-N
XLogP2.74
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide?
The IUPAC name of 2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide (CID 2336231) is 2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide is O=S(=O)(CCc1ccccc1)N=Cc1cccs1.
What is the InChIKey of 2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide?
The InChIKey is MATYVFNCSUKKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S2/c15-18(16,14-11-13-7-4-9-17-13)10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2.
What are the key properties of 2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide?
2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide has a molecular weight of 279.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(thiophen-2-ylmethylidene)ethanesulfonamide is sourced from PubChem (CID 2336231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).