3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide

C18H14F3N3O3S — CID 122303511

IUPAC3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C18H14F3N3O3S/c1-10-17(24-28(25,26)14-8-12(19)7-13(20)9-14)11(2)23-18(22-10)27-16-6-4-3-5-15(16)21/h3-9,24H,1-2H3
InChIKeyLUNRSCCMDLIWGQ-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.10
Rot. Bonds5

About 3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide

3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide (PubChem CID 122303511) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide
PubChem CID122303511
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC Name3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C18H14F3N3O3S/c1-10-17(24-28(25,26)14-8-12(19)7-13(20)9-14)11(2)23-18(22-10)27-16-6-4-3-5-15(16)21/h3-9,24H,1-2H3
InChIKeyLUNRSCCMDLIWGQ-UHFFFAOYSA-N
XLogP4.10
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122303524
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122303528
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide
CID 122303319
2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
CID 122303430
1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide
CID 122303539
2-(2-fluorophenoxy)-4,6-dimethylpyrimidine
CID 671376
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
CID 122303244
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 91969101
1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea
CID 122303288
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122303656

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide (CID 122303511) is 3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide is Cc1nc(Oc2ccccc2F)nc(C)c1NS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide?
The InChIKey is LUNRSCCMDLIWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c1-10-17(24-28(25,26)14-8-12(19)7-13(20)9-14)11(2)23-18(22-10)27-16-6-4-3-5-15(16)21/h3-9,24H,1-2H3.
What are the key properties of 3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide?
3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide has a molecular weight of 409.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 122303511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).