N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide

C14H16FN3O3S — CID 59160617

IUPACN-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(OCc2ccc(C)cc2)ncc1F
InChIInChI=1S/C14H16FN3O3S/c1-3-22(19,20)18-13-12(15)8-16-14(17-13)21-9-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyTVECQLLIZDORBR-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.26
Rot. Bonds6

About N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide

N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide (PubChem CID 59160617) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide
PubChem CID59160617
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC NameN-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(OCc2ccc(C)cc2)ncc1F
InChIInChI=1S/C14H16FN3O3S/c1-3-22(19,20)18-13-12(15)8-16-14(17-13)21-9-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyTVECQLLIZDORBR-UHFFFAOYSA-N
XLogP2.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide (CID 59160617) is N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1nc(OCc2ccc(C)cc2)ncc1F.
What is the InChIKey of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide?
The InChIKey is TVECQLLIZDORBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-3-22(19,20)18-13-12(15)8-16-14(17-13)21-9-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide?
N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide has a molecular weight of 325.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 59160617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).