2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide

C14H15N3O2S — CID 4028994

IUPAC2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=Cc2ccccn2)c1
InChIInChI=1S/C14H15N3O2S/c1-11-6-7-12(2)14(9-11)20(18,19)17-16-10-13-5-3-4-8-15-13/h3-10,17H,1-2H3
InChIKeyGTSQKZWMTNSMHY-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.01
Rot. Bonds4

About 2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide

2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide (PubChem CID 4028994) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide
PubChem CID4028994
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=Cc2ccccn2)c1
InChIInChI=1S/C14H15N3O2S/c1-11-6-7-12(2)14(9-11)20(18,19)17-16-10-13-5-3-4-8-15-13/h3-10,17H,1-2H3
InChIKeyGTSQKZWMTNSMHY-UHFFFAOYSA-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

5-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]benzenesulfonamide
CID 110515967
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
2,5-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 6892667
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 5171617
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4674116
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737
N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4017599
5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 110515892

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide (CID 4028994) is 2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NN=Cc2ccccn2)c1.
What is the InChIKey of 2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide?
The InChIKey is GTSQKZWMTNSMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-11-6-7-12(2)14(9-11)20(18,19)17-16-10-13-5-3-4-8-15-13/h3-10,17H,1-2H3.
What are the key properties of 2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide?
2,5-dimethyl-N-(pyridin-2-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 2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 4028994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).