N-benzylidenebenzenesulfonamide

C13H11NO2S — CID 555202

IUPACN-benzylidenebenzenesulfonamide
SMILESO=S(=O)(N=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-11H
InChIKeyMPNRJEPBAYEQBY-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.49
Rot. Bonds3

About N-benzylidenebenzenesulfonamide

N-benzylidenebenzenesulfonamide (PubChem CID 555202) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-benzylidenebenzenesulfonamide.

Molecular Properties

Compound NameN-benzylidenebenzenesulfonamide
PubChem CID555202
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC NameN-benzylidenebenzenesulfonamide
SMILESO=S(=O)(N=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-11H
InChIKeyMPNRJEPBAYEQBY-UHFFFAOYSA-N
XLogP2.49
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-benzylidenebenzenesulfonamide?
The IUPAC name of N-benzylidenebenzenesulfonamide (CID 555202) is N-benzylidenebenzenesulfonamide.
What is the SMILES notation for N-benzylidenebenzenesulfonamide?
The canonical SMILES for N-benzylidenebenzenesulfonamide is O=S(=O)(N=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzylidenebenzenesulfonamide?
The InChIKey is MPNRJEPBAYEQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-11H.
What are the key properties of N-benzylidenebenzenesulfonamide?
N-benzylidenebenzenesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylidenebenzenesulfonamide is sourced from PubChem (CID 555202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).