N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide

C18H14FN3O4S — CID 58337478

IUPACN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H14FN3O4S/c1-27(24,25)17-4-2-3-12(5-17)18(23)22-14-6-13(19)7-15(8-14)26-16-9-20-11-21-10-16/h2-11H,1H3,(H,22,23)
InChIKeyPDQNBAOALOVKEB-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.06
Rot. Bonds5

About N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide (PubChem CID 58337478) has the molecular formula C18H14FN3O4S and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide
PubChem CID58337478
Molecular FormulaC18H14FN3O4S
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H14FN3O4S/c1-27(24,25)17-4-2-3-12(5-17)18(23)22-14-6-13(19)7-15(8-14)26-16-9-20-11-21-10-16/h2-11H,1H3,(H,22,23)
InChIKeyPDQNBAOALOVKEB-UHFFFAOYSA-N
XLogP3.06
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide (CID 58337478) is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.
What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide?
The InChIKey is PDQNBAOALOVKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4S/c1-27(24,25)17-4-2-3-12(5-17)18(23)22-14-6-13(19)7-15(8-14)26-16-9-20-11-21-10-16/h2-11H,1H3,(H,22,23).
What are the key properties of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide?
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide has a molecular weight of 387.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 58337478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).