3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C14H17N3O2S — CID 43257796

IUPAC3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccccn2)cc1N
InChIInChI=1S/C14H17N3O2S/c1-2-11-6-7-13(9-14(11)15)20(18,19)17-10-12-5-3-4-8-16-12/h3-9,17H,2,10,15H2,1H3
InChIKeyYCAKGEABAWQTOE-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.70
Rot. Bonds5

About 3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 43257796) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID43257796
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccccn2)cc1N
InChIInChI=1S/C14H17N3O2S/c1-2-11-6-7-13(9-14(11)15)20(18,19)17-10-12-5-3-4-8-16-12/h3-9,17H,2,10,15H2,1H3
InChIKeyYCAKGEABAWQTOE-UHFFFAOYSA-N
XLogP1.70
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 116791368
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110454351
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241
5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide
CID 107658144
6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 29267504
6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62144545
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064805

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 43257796) is 3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2ccccn2)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is YCAKGEABAWQTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-11-6-7-13(9-14(11)15)20(18,19)17-10-12-5-3-4-8-16-12/h3-9,17H,2,10,15H2,1H3.
What are the key properties of 3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43257796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).