1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide

C14H15F2N3O3S — CID 72717239

IUPAC1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide
SMILESCc1cncn(CCNS(=O)(=O)Cc2cc(F)ccc2F)c1=O
InChIInChI=1S/C14H15F2N3O3S/c1-10-7-17-9-19(14(10)20)5-4-18-23(21,22)8-11-6-12(15)2-3-13(11)16/h2-3,6-7,9,18H,4-5,8H2,1H3
InChIKeyMEPLQVAUXRTUBF-UHFFFAOYSA-N
MW343.36 g/mol
LogP0.95
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide (PubChem CID 72717239) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide
PubChem CID72717239
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC Name1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide
SMILESCc1cncn(CCNS(=O)(=O)Cc2cc(F)ccc2F)c1=O
InChIInChI=1S/C14H15F2N3O3S/c1-10-7-17-9-19(14(10)20)5-4-18-23(21,22)8-11-6-12(15)2-3-13(11)16/h2-3,6-7,9,18H,4-5,8H2,1H3
InChIKeyMEPLQVAUXRTUBF-UHFFFAOYSA-N
XLogP0.95
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide (CID 72717239) is 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide is Cc1cncn(CCNS(=O)(=O)Cc2cc(F)ccc2F)c1=O.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is MEPLQVAUXRTUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c1-10-7-17-9-19(14(10)20)5-4-18-23(21,22)8-11-6-12(15)2-3-13(11)16/h2-3,6-7,9,18H,4-5,8H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 343.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 72717239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).