4-(pyridin-3-ylmethylideneamino)benzenesulfonamide

C12H11N3O2S — CID 10659069

IUPAC4-(pyridin-3-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2cccnc2)cc1
InChIInChI=1S/C12H11N3O2S/c13-18(16,17)12-5-3-11(4-6-12)15-9-10-2-1-7-14-8-10/h1-9H,(H2,13,16,17)/b15-9+
InChIKeySTNBYNGRKDOMLP-OQLLNIDSSA-N
MW261.31 g/mol
LogP1.48
Rot. Bonds3

About 4-(pyridin-3-ylmethylideneamino)benzenesulfonamide

4-(pyridin-3-ylmethylideneamino)benzenesulfonamide (PubChem CID 10659069) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(pyridin-3-ylmethylideneamino)benzenesulfonamide
PubChem CID10659069
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name4-(pyridin-3-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2cccnc2)cc1
InChIInChI=1S/C12H11N3O2S/c13-18(16,17)12-5-3-11(4-6-12)15-9-10-2-1-7-14-8-10/h1-9H,(H2,13,16,17)/b15-9+
InChIKeySTNBYNGRKDOMLP-OQLLNIDSSA-N
XLogP1.48
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(pyridin-3-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 4-(pyridin-3-ylmethylideneamino)benzenesulfonamide (CID 10659069) is 4-(pyridin-3-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-(pyridin-3-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 4-(pyridin-3-ylmethylideneamino)benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2cccnc2)cc1.
What is the InChIKey of 4-(pyridin-3-ylmethylideneamino)benzenesulfonamide?
The InChIKey is STNBYNGRKDOMLP-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-18(16,17)12-5-3-11(4-6-12)15-9-10-2-1-7-14-8-10/h1-9H,(H2,13,16,17)/b15-9+.
What are the key properties of 4-(pyridin-3-ylmethylideneamino)benzenesulfonamide?
4-(pyridin-3-ylmethylideneamino)benzenesulfonamide has a molecular weight of 261.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 10659069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).