N-(2-formylthiophen-3-yl)benzenesulfonamide

C11H9NO3S2 — CID 89159856

IUPACN-(2-formylthiophen-3-yl)benzenesulfonamide
SMILESO=Cc1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO3S2/c13-8-11-10(6-7-16-11)12-17(14,15)9-4-2-1-3-5-9/h1-8,12H
InChIKeyQJMNEADPGLEGIS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.36
Rot. Bonds4

About N-(2-formylthiophen-3-yl)benzenesulfonamide

N-(2-formylthiophen-3-yl)benzenesulfonamide (PubChem CID 89159856) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-formylthiophen-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-formylthiophen-3-yl)benzenesulfonamide
PubChem CID89159856
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC NameN-(2-formylthiophen-3-yl)benzenesulfonamide
SMILESO=Cc1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO3S2/c13-8-11-10(6-7-16-11)12-17(14,15)9-4-2-1-3-5-9/h1-8,12H
InChIKeyQJMNEADPGLEGIS-UHFFFAOYSA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-formylthiophen-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-formylthiophen-3-yl)benzenesulfonamide (CID 89159856) is N-(2-formylthiophen-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-formylthiophen-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-formylthiophen-3-yl)benzenesulfonamide is O=Cc1sccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-formylthiophen-3-yl)benzenesulfonamide?
The InChIKey is QJMNEADPGLEGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c13-8-11-10(6-7-16-11)12-17(14,15)9-4-2-1-3-5-9/h1-8,12H.
What are the key properties of N-(2-formylthiophen-3-yl)benzenesulfonamide?
N-(2-formylthiophen-3-yl)benzenesulfonamide has a molecular weight of 267.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylthiophen-3-yl)benzenesulfonamide is sourced from PubChem (CID 89159856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).