N-benzylidenethiophene-2-sulfonamide

C11H9NO2S2 — CID 687537

IUPACN-benzylidenethiophene-2-sulfonamide
SMILESO=S(=O)(N=Cc1ccccc1)c1cccs1
InChIInChI=1S/C11H9NO2S2/c13-16(14,11-7-4-8-15-11)12-9-10-5-2-1-3-6-10/h1-9H
InChIKeyFIDRCCGLKUWJQF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.56
Rot. Bonds3

About N-benzylidenethiophene-2-sulfonamide

N-benzylidenethiophene-2-sulfonamide (PubChem CID 687537) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-benzylidenethiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzylidenethiophene-2-sulfonamide
PubChem CID687537
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC NameN-benzylidenethiophene-2-sulfonamide
SMILESO=S(=O)(N=Cc1ccccc1)c1cccs1
InChIInChI=1S/C11H9NO2S2/c13-16(14,11-7-4-8-15-11)12-9-10-5-2-1-3-6-10/h1-9H
InChIKeyFIDRCCGLKUWJQF-UHFFFAOYSA-N
XLogP2.56
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.56
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 N-benzylidenethiophene-2-sulfonamide?
The IUPAC name of N-benzylidenethiophene-2-sulfonamide (CID 687537) is N-benzylidenethiophene-2-sulfonamide.
What is the SMILES notation for N-benzylidenethiophene-2-sulfonamide?
The canonical SMILES for N-benzylidenethiophene-2-sulfonamide is O=S(=O)(N=Cc1ccccc1)c1cccs1.
What is the InChIKey of N-benzylidenethiophene-2-sulfonamide?
The InChIKey is FIDRCCGLKUWJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c13-16(14,11-7-4-8-15-11)12-9-10-5-2-1-3-6-10/h1-9H.
What are the key properties of N-benzylidenethiophene-2-sulfonamide?
N-benzylidenethiophene-2-sulfonamide has a molecular weight of 251.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylidenethiophene-2-sulfonamide is sourced from PubChem (CID 687537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).