5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine

C14H15BrN2O3S — CID 133319936

IUPAC5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine
SMILESCS(=O)(=O)c1ccc(OCCNc2cncc(Br)c2)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-21(18,19)14-4-2-13(3-5-14)20-7-6-17-12-8-11(15)9-16-10-12/h2-5,8-10,17H,6-7H2,1H3
InChIKeyHNKFAEXWWRPPIJ-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.74
Rot. Bonds6

About 5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine

5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine (PubChem CID 133319936) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine
PubChem CID133319936
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine
SMILESCS(=O)(=O)c1ccc(OCCNc2cncc(Br)c2)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-21(18,19)14-4-2-13(3-5-14)20-7-6-17-12-8-11(15)9-16-10-12/h2-5,8-10,17H,6-7H2,1H3
InChIKeyHNKFAEXWWRPPIJ-UHFFFAOYSA-N
XLogP2.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine
CID 167784582
1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine
CID 84587895
N-[2-(4-methylsulfonylphenoxy)ethyl]quinoxalin-2-amine
CID 56781418
5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532326
N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 51354314
3-[2-(4-methylsulfonylanilino)ethoxy]aniline
CID 61031379
N-ethyl-3-(4-methylsulfonylphenoxy)propan-1-amine
CID 43807218
N-[2-(4-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 43807211
3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine
CID 104533858
3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 104796856
8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine
CID 133388547

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine (CID 133319936) is 5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine is CS(=O)(=O)c1ccc(OCCNc2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine?
The InChIKey is HNKFAEXWWRPPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-21(18,19)14-4-2-13(3-5-14)20-7-6-17-12-8-11(15)9-16-10-12/h2-5,8-10,17H,6-7H2,1H3.
What are the key properties of 5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine?
5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine has a molecular weight of 371.26 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine is sourced from PubChem (CID 133319936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).