N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide

C12H11N3O2S — CID 5407781

IUPACN-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1cccnc1)c1ccccc1
InChIInChI=1S/C12H11N3O2S/c16-18(17,12-6-2-1-3-7-12)15-14-10-11-5-4-8-13-9-11/h1-10,15H/b14-10-
InChIKeyLLXOPCDYNFFJAF-UVTDQMKNSA-N
MW261.31 g/mol
LogP1.39
Rot. Bonds4

About N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide

N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide (PubChem CID 5407781) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide
PubChem CID5407781
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1cccnc1)c1ccccc1
InChIInChI=1S/C12H11N3O2S/c16-18(17,12-6-2-1-3-7-12)15-14-10-11-5-4-8-13-9-11/h1-10,15H/b14-10-
InChIKeyLLXOPCDYNFFJAF-UVTDQMKNSA-N
XLogP1.39
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(Trifluoromethyl)pyridine-2-sulfonamide
CID 13910921
Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
CID 466102
1-Tosylpyrrole
CID 640087
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
Pyridine, 4-[2-[(4-methylphenyl)sulfonyl]ethyl]-
CID 571666
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-3-Pyridylbenzenesulfonamide
CID 339079
BM-960102
CID 819349
2-Fluoro-1-methylpyridinium p-toluenesulfonate
CID 171631

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide (CID 5407781) is N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide is O=S(=O)(N/N=C\c1cccnc1)c1ccccc1.
What is the InChIKey of N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
The InChIKey is LLXOPCDYNFFJAF-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-18(17,12-6-2-1-3-7-12)15-14-10-11-5-4-8-13-9-11/h1-10,15H/b14-10-.
What are the key properties of N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide has a molecular weight of 261.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5407781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).