N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine

C18H16FN3O3S — CID 56877745

IUPACN-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine
SMILESO=S(=O)(NCc1ccccc1)Nc1cccnc1Oc1ccccc1F
InChIInChI=1S/C18H16FN3O3S/c19-15-9-4-5-11-17(15)25-18-16(10-6-12-20-18)22-26(23,24)21-13-14-7-2-1-3-8-14/h1-12,21-22H,13H2
InChIKeyILLHYRAHDFRACW-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.46
Rot. Bonds7

About N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine

N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine (PubChem CID 56877745) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine
PubChem CID56877745
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine
SMILESO=S(=O)(NCc1ccccc1)Nc1cccnc1Oc1ccccc1F
InChIInChI=1S/C18H16FN3O3S/c19-15-9-4-5-11-17(15)25-18-16(10-6-12-20-18)22-26(23,24)21-13-14-7-2-1-3-8-14/h1-12,21-22H,13H2
InChIKeyILLHYRAHDFRACW-UHFFFAOYSA-N
XLogP3.46
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2,4-Difluorophenoxy)-3-pyridinamine
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[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
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2-Phenoxy-3-(piperidin-4-yl)pyridine
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2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine?
The IUPAC name of N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine (CID 56877745) is N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine.
What is the SMILES notation for N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine?
The canonical SMILES for N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine is O=S(=O)(NCc1ccccc1)Nc1cccnc1Oc1ccccc1F.
What is the InChIKey of N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine?
The InChIKey is ILLHYRAHDFRACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-15-9-4-5-11-17(15)25-18-16(10-6-12-20-18)22-26(23,24)21-13-14-7-2-1-3-8-14/h1-12,21-22H,13H2.
What are the key properties of N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine?
N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine has a molecular weight of 373.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-2-(2-fluorophenoxy)pyridin-3-amine is sourced from PubChem (CID 56877745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).