N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide

C14H15F2N3O5S — CID 67302441

IUPACN-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide
SMILESCOc1cc(OC)nc(-c2ccccc2NS(=O)(=O)C(F)(F)CO)n1
InChIInChI=1S/C14H15F2N3O5S/c1-23-11-7-12(24-2)18-13(17-11)9-5-3-4-6-10(9)19-25(21,22)14(15,16)8-20/h3-7,19-20H,8H2,1-2H3
InChIKeyAPANJUWACKONFK-UHFFFAOYSA-N
MW375.35 g/mol
LogP1.49
Rot. Bonds7

About N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide

N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide (PubChem CID 67302441) has the molecular formula C14H15F2N3O5S and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide
PubChem CID67302441
Molecular FormulaC14H15F2N3O5S
Molecular Weight375.35 g/mol
Exact Mass375.07
IUPAC NameN-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide
SMILESCOc1cc(OC)nc(-c2ccccc2NS(=O)(=O)C(F)(F)CO)n1
InChIInChI=1S/C14H15F2N3O5S/c1-23-11-7-12(24-2)18-13(17-11)9-5-3-4-6-10(9)19-25(21,22)14(15,16)8-20/h3-7,19-20H,8H2,1-2H3
InChIKeyAPANJUWACKONFK-UHFFFAOYSA-N
XLogP1.49
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide?
The IUPAC name of N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide (CID 67302441) is N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide is COc1cc(OC)nc(-c2ccccc2NS(=O)(=O)C(F)(F)CO)n1.
What is the InChIKey of N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide?
The InChIKey is APANJUWACKONFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O5S/c1-23-11-7-12(24-2)18-13(17-11)9-5-3-4-6-10(9)19-25(21,22)14(15,16)8-20/h3-7,19-20H,8H2,1-2H3.
What are the key properties of N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide?
N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide has a molecular weight of 375.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethoxypyrimidin-2-yl)phenyl]-1,1-difluoro-2-hydroxyethanesulfonamide is sourced from PubChem (CID 67302441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).