2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide

C14H17N3O3S — CID 79042980

IUPAC2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide
SMILESCc1ncccc1NS(=O)(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H17N3O3S/c1-11-14(3-2-8-16-11)17-21(18,19)10-9-20-13-6-4-12(15)5-7-13/h2-8,17H,9-10,15H2,1H3
InChIKeyQIMWTTPATJTVEM-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.79
Rot. Bonds6

About 2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide

2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide (PubChem CID 79042980) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide
PubChem CID79042980
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide
SMILESCc1ncccc1NS(=O)(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H17N3O3S/c1-11-14(3-2-8-16-11)17-21(18,19)10-9-20-13-6-4-12(15)5-7-13/h2-8,17H,9-10,15H2,1H3
InChIKeyQIMWTTPATJTVEM-UHFFFAOYSA-N
XLogP1.79
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
CID 107584551
2-(4-aminophenoxy)-N-pyrimidin-5-ylethanesulfonamide
CID 107587512
2-(4-methoxyphenoxy)-N-(3-methyl-2-pyridinyl)ethanesulfonamide
CID 90518353
1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
CID 79043239
2-(4-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039925
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide
CID 90518426
N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106070211
2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
CID 90518830
1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide
CID 61109056
2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)ethanesulfonamide
CID 64518005
2-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]ethanesulfonamide
CID 107843768
2-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide (CID 79042980) is 2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide is Cc1ncccc1NS(=O)(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide?
The InChIKey is QIMWTTPATJTVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-11-14(3-2-8-16-11)17-21(18,19)10-9-20-13-6-4-12(15)5-7-13/h2-8,17H,9-10,15H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide?
2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 79042980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).