1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide

C16H20FN3O2S — CID 91242091

IUPAC1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
SMILESCc1c(-c2ccc(F)cc2)nc(C(C)S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C16H20FN3O2S/c1-9(2)14-10(3)15(12-5-7-13(17)8-6-12)20-16(19-14)11(4)23(18,21)22/h5-9,11H,1-4H3,(H2,18,21,22)
InChIKeyGHXFFUBAAIBKSF-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.06
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide

1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide (PubChem CID 91242091) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
PubChem CID91242091
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
SMILESCc1c(-c2ccc(F)cc2)nc(C(C)S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C16H20FN3O2S/c1-9(2)14-10(3)15(12-5-7-13(17)8-6-12)20-16(19-14)11(4)23(18,21)22/h5-9,11H,1-4H3,(H2,18,21,22)
InChIKeyGHXFFUBAAIBKSF-UHFFFAOYSA-N
XLogP3.06
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide (CID 91242091) is 1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide is Cc1c(-c2ccc(F)cc2)nc(C(C)S(N)(=O)=O)nc1C(C)C.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The InChIKey is GHXFFUBAAIBKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-9(2)14-10(3)15(12-5-7-13(17)8-6-12)20-16(19-14)11(4)23(18,21)22/h5-9,11H,1-4H3,(H2,18,21,22).
What are the key properties of 1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 91242091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).