2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide

C21H20FN3O3S — CID 25035888

IUPAC2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C21H20FN3O3S/c22-20-9-8-18(29(27,28)25-12-10-16-5-2-1-3-6-16)13-19(20)21(26)24-15-17-7-4-11-23-14-17/h1-9,11,13-14,25H,10,12,15H2,(H,24,26)
InChIKeyIHMAZCKKUUXUHU-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.67
Rot. Bonds8

About 2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide

2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 25035888) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID25035888
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C21H20FN3O3S/c22-20-9-8-18(29(27,28)25-12-10-16-5-2-1-3-6-16)13-19(20)21(26)24-15-17-7-4-11-23-14-17/h1-9,11,13-14,25H,10,12,15H2,(H,24,26)
InChIKeyIHMAZCKKUUXUHU-UHFFFAOYSA-N
XLogP2.67
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide (CID 25035888) is 2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is IHMAZCKKUUXUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c22-20-9-8-18(29(27,28)25-12-10-16-5-2-1-3-6-16)13-19(20)21(26)24-15-17-7-4-11-23-14-17/h1-9,11,13-14,25H,10,12,15H2,(H,24,26).
What are the key properties of 2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 413.47 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 25035888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).