N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide

C19H18FN3O3S — CID 122303319

IUPACN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H18FN3O3S/c1-13-18(23-27(24,25)12-15-8-4-3-5-9-15)14(2)22-19(21-13)26-17-11-7-6-10-16(17)20/h3-11,23H,12H2,1-2H3
InChIKeyPZEVFAGGDUOXLU-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.97
Rot. Bonds6

About N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide (PubChem CID 122303319) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide
PubChem CID122303319
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H18FN3O3S/c1-13-18(23-27(24,25)12-15-8-4-3-5-9-15)14(2)22-19(21-13)26-17-11-7-6-10-16(17)20/h3-11,23H,12H2,1-2H3
InChIKeyPZEVFAGGDUOXLU-UHFFFAOYSA-N
XLogP3.97
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide (CID 122303319) is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide is Cc1nc(Oc2ccccc2F)nc(C)c1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide?
The InChIKey is PZEVFAGGDUOXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13-18(23-27(24,25)12-15-8-4-3-5-9-15)14(2)22-19(21-13)26-17-11-7-6-10-16(17)20/h3-11,23H,12H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide?
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 122303319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).