2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide

C14H15N3O2S — CID 110517932

IUPAC2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cccnc2)c(C)c1
InChIInChI=1S/C14H15N3O2S/c1-11-5-6-14(12(2)8-11)20(18,19)17-16-10-13-4-3-7-15-9-13/h3-10,17H,1-2H3/b16-10+
InChIKeyLNFSOBCQEOUBJL-MHWRWJLKSA-N
MW289.36 g/mol
LogP2.01
Rot. Bonds4

About 2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide

2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide (PubChem CID 110517932) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
PubChem CID110517932
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cccnc2)c(C)c1
InChIInChI=1S/C14H15N3O2S/c1-11-5-6-14(12(2)8-11)20(18,19)17-16-10-13-4-3-7-15-9-13/h3-10,17H,1-2H3/b16-10+
InChIKeyLNFSOBCQEOUBJL-MHWRWJLKSA-N
XLogP2.01
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.01
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

N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919
N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517904
4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 6898358
N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517879
2,4-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110517867
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517753
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide
CID 27484544
N-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517782
[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate
CID 110517864
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide (CID 110517932) is 2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2cccnc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
The InChIKey is LNFSOBCQEOUBJL-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-11-5-6-14(12(2)8-11)20(18,19)17-16-10-13-4-3-7-15-9-13/h3-10,17H,1-2H3/b16-10+.
What are the key properties of 2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 110517932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).