2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide

C14H17N3O3S — CID 107584551

IUPAC2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
SMILESCc1cncc(NS(=O)(=O)CCOc2ccc(N)cc2)c1
InChIInChI=1S/C14H17N3O3S/c1-11-8-13(10-16-9-11)17-21(18,19)7-6-20-14-4-2-12(15)3-5-14/h2-5,8-10,17H,6-7,15H2,1H3
InChIKeyGVQVVLQXMWVVSA-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.79
Rot. Bonds6

About 2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide

2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide (PubChem CID 107584551) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
PubChem CID107584551
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
SMILESCc1cncc(NS(=O)(=O)CCOc2ccc(N)cc2)c1
InChIInChI=1S/C14H17N3O3S/c1-11-8-13(10-16-9-11)17-21(18,19)7-6-20-14-4-2-12(15)3-5-14/h2-5,8-10,17H,6-7,15H2,1H3
InChIKeyGVQVVLQXMWVVSA-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-pyrimidin-5-ylethanesulfonamide
CID 107587512
2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide
CID 79042980
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
2-(dimethylamino)-N-(5-methyl-3-pyridinyl)ethanesulfonamide;ethane
CID 145106836
N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585840
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
CID 106088035
2-(4-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039925
5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553
4-[2-(4-methylphenoxy)ethylsulfonyl]aniline
CID 39398000
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide (CID 107584551) is 2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide is Cc1cncc(NS(=O)(=O)CCOc2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide?
The InChIKey is GVQVVLQXMWVVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-11-8-13(10-16-9-11)17-21(18,19)7-6-20-14-4-2-12(15)3-5-14/h2-5,8-10,17H,6-7,15H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide?
2-(4-aminophenoxy)-N-(5-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-(5-methyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 107584551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).