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

C17H20FN3O2S — CID 67321813

IUPACN-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
SMILESC=Cc1c(-c2ccc(F)cc2)nc(NS(=O)(=O)CC)nc1C(C)C
InChIInChI=1S/C17H20FN3O2S/c1-5-14-15(11(3)4)19-17(21-24(22,23)6-2)20-16(14)12-7-9-13(18)10-8-12/h5,7-11H,1,6H2,2-4H3,(H,19,20,21)
InChIKeyJRYIMBNZBAUFRB-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.81
Rot. Bonds6

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

N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide (PubChem CID 67321813) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
PubChem CID67321813
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
SMILESC=Cc1c(-c2ccc(F)cc2)nc(NS(=O)(=O)CC)nc1C(C)C
InChIInChI=1S/C17H20FN3O2S/c1-5-14-15(11(3)4)19-17(21-24(22,23)6-2)20-16(14)12-7-9-13(18)10-8-12/h5,7-11H,1,6H2,2-4H3,(H,19,20,21)
InChIKeyJRYIMBNZBAUFRB-UHFFFAOYSA-N
XLogP3.81
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide (CID 67321813) is N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide is C=Cc1c(-c2ccc(F)cc2)nc(NS(=O)(=O)CC)nc1C(C)C.
What is the InChIKey of N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The InChIKey is JRYIMBNZBAUFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-5-14-15(11(3)4)19-17(21-24(22,23)6-2)20-16(14)12-7-9-13(18)10-8-12/h5,7-11H,1,6H2,2-4H3,(H,19,20,21).
What are the key properties of N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 67321813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).