N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide

C16H20FN3O3S — CID 71051319

IUPACN-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide
SMILESCCc1cncc(OC[C@@H](N)CNS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H20FN3O3S/c1-2-12-6-15(10-19-8-12)23-11-14(18)9-20-24(21,22)16-5-3-4-13(17)7-16/h3-8,10,14,20H,2,9,11,18H2,1H3/t14-/m0/s1
InChIKeyROYRUABCXGJEHN-AWEZNQCLSA-N
MW353.42 g/mol
LogP1.47
Rot. Bonds8

About N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide

N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide (PubChem CID 71051319) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide
PubChem CID71051319
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC NameN-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide
SMILESCCc1cncc(OC[C@@H](N)CNS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H20FN3O3S/c1-2-12-6-15(10-19-8-12)23-11-14(18)9-20-24(21,22)16-5-3-4-13(17)7-16/h3-8,10,14,20H,2,9,11,18H2,1H3/t14-/m0/s1
InChIKeyROYRUABCXGJEHN-AWEZNQCLSA-N
XLogP1.47
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide (CID 71051319) is N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide is CCc1cncc(OC[C@@H](N)CNS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide?
The InChIKey is ROYRUABCXGJEHN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-2-12-6-15(10-19-8-12)23-11-14(18)9-20-24(21,22)16-5-3-4-13(17)7-16/h3-8,10,14,20H,2,9,11,18H2,1H3/t14-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide?
N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-[(5-ethyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 71051319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).