N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide

C14H17N3O2S — CID 43459312

IUPACN-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(Cc1ccccc1N)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H17N3O2S/c1-2-17(11-12-6-3-4-8-14(12)15)20(18,19)13-7-5-9-16-10-13/h3-10H,2,11,15H2,1H3
InChIKeyFXRJURJZKKJLKA-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.87
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide

N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide (PubChem CID 43459312) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide
PubChem CID43459312
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(Cc1ccccc1N)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H17N3O2S/c1-2-17(11-12-6-3-4-8-14(12)15)20(18,19)13-7-5-9-16-10-13/h3-10H,2,11,15H2,1H3
InChIKeyFXRJURJZKKJLKA-UHFFFAOYSA-N
XLogP1.87
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide (CID 43459312) is N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide is CCN(Cc1ccccc1N)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
The InChIKey is FXRJURJZKKJLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-17(11-12-6-3-4-8-14(12)15)20(18,19)13-7-5-9-16-10-13/h3-10H,2,11,15H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 43459312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).