4-amino-N-benzylidenebenzenesulfonamide

C13H12N2O2S — CID 23907468

IUPAC4-amino-N-benzylidenebenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N=Cc2ccccc2)cc1
InChIInChI=1S/C13H12N2O2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-10H,14H2
InChIKeyKJUOQWKXSWKRNA-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.08
Rot. Bonds3

About 4-amino-N-benzylidenebenzenesulfonamide

4-amino-N-benzylidenebenzenesulfonamide (PubChem CID 23907468) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-amino-N-benzylidenebenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-benzylidenebenzenesulfonamide
PubChem CID23907468
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name4-amino-N-benzylidenebenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N=Cc2ccccc2)cc1
InChIInChI=1S/C13H12N2O2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-10H,14H2
InChIKeyKJUOQWKXSWKRNA-UHFFFAOYSA-N
XLogP2.08
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzylidenebenzenesulfonamide?
The IUPAC name of 4-amino-N-benzylidenebenzenesulfonamide (CID 23907468) is 4-amino-N-benzylidenebenzenesulfonamide.
What is the SMILES notation for 4-amino-N-benzylidenebenzenesulfonamide?
The canonical SMILES for 4-amino-N-benzylidenebenzenesulfonamide is Nc1ccc(S(=O)(=O)N=Cc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-benzylidenebenzenesulfonamide?
The InChIKey is KJUOQWKXSWKRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-10H,14H2.
What are the key properties of 4-amino-N-benzylidenebenzenesulfonamide?
4-amino-N-benzylidenebenzenesulfonamide has a molecular weight of 260.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzylidenebenzenesulfonamide is sourced from PubChem (CID 23907468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).