N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide

C16H20FN3O2S — CID 91404692

IUPACN-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)c(C(C)C)n1
InChIInChI=1S/C16H20FN3O2S/c1-5-23(21,22)20-16-18-14(10(2)3)11(4)15(19-16)12-6-8-13(17)9-7-12/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyCYXQUUMSHNZVFN-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.48
Rot. Bonds5

About N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide

N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide (PubChem CID 91404692) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
PubChem CID91404692
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)c(C(C)C)n1
InChIInChI=1S/C16H20FN3O2S/c1-5-23(21,22)20-16-18-14(10(2)3)11(4)15(19-16)12-6-8-13(17)9-7-12/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyCYXQUUMSHNZVFN-UHFFFAOYSA-N
XLogP3.48
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide (CID 91404692) is N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)c(C(C)C)n1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The InChIKey is CYXQUUMSHNZVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-5-23(21,22)20-16-18-14(10(2)3)11(4)15(19-16)12-6-8-13(17)9-7-12/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 91404692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).