N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide

C19H18F2N4O2S — CID 71234666

IUPACN-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCCc1ncnc(-c2c(F)cccc2F)c1-c1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C19H18F2N4O2S/c1-4-15-17(12-8-16(11(2)22-9-12)25-28(3,26)27)19(24-10-23-15)18-13(20)6-5-7-14(18)21/h5-10,25H,4H2,1-3H3
InChIKeySPBLEOHMGKBPMU-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.73
Rot. Bonds5

About N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide

N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide (PubChem CID 71234666) has the molecular formula C19H18F2N4O2S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
PubChem CID71234666
Molecular FormulaC19H18F2N4O2S
Molecular Weight404.44 g/mol
Exact Mass404.11
IUPAC NameN-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCCc1ncnc(-c2c(F)cccc2F)c1-c1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C19H18F2N4O2S/c1-4-15-17(12-8-16(11(2)22-9-12)25-28(3,26)27)19(24-10-23-15)18-13(20)6-5-7-14(18)21/h5-10,25H,4H2,1-3H3
InChIKeySPBLEOHMGKBPMU-UHFFFAOYSA-N
XLogP3.73
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide (CID 71234666) is N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide is CCc1ncnc(-c2c(F)cccc2F)c1-c1cnc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The InChIKey is SPBLEOHMGKBPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2S/c1-4-15-17(12-8-16(11(2)22-9-12)25-28(3,26)27)19(24-10-23-15)18-13(20)6-5-7-14(18)21/h5-10,25H,4H2,1-3H3.
What are the key properties of N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide has a molecular weight of 404.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 71234666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).