N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide

C13H10Cl2F3N3O3S — CID 139921152

IUPACN-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide
SMILESCc1nc(-c2cc(NS(C)(=O)=O)c(Cl)cc2F)c(Cl)c(=O)n1C(F)F
InChIInChI=1S/C13H10Cl2F3N3O3S/c1-5-19-11(10(15)12(22)21(5)13(17)18)6-3-9(20-25(2,23)24)7(14)4-8(6)16/h3-4,13,20H,1-2H3
InChIKeyOYFQPHLIJBSLGF-UHFFFAOYSA-N
MW416.21 g/mol
LogP3.43
Rot. Bonds4

About N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide

N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide (PubChem CID 139921152) has the molecular formula C13H10Cl2F3N3O3S and a molecular weight of 416.21 g/mol. Its IUPAC name is N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide
PubChem CID139921152
Molecular FormulaC13H10Cl2F3N3O3S
Molecular Weight416.21 g/mol
Exact Mass414.98
IUPAC NameN-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide
SMILESCc1nc(-c2cc(NS(C)(=O)=O)c(Cl)cc2F)c(Cl)c(=O)n1C(F)F
InChIInChI=1S/C13H10Cl2F3N3O3S/c1-5-19-11(10(15)12(22)21(5)13(17)18)6-3-9(20-25(2,23)24)7(14)4-8(6)16/h3-4,13,20H,1-2H3
InChIKeyOYFQPHLIJBSLGF-UHFFFAOYSA-N
XLogP3.43
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide (CID 139921152) is N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide is Cc1nc(-c2cc(NS(C)(=O)=O)c(Cl)cc2F)c(Cl)c(=O)n1C(F)F.
What is the InChIKey of N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide?
The InChIKey is OYFQPHLIJBSLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O3S/c1-5-19-11(10(15)12(22)21(5)13(17)18)6-3-9(20-25(2,23)24)7(14)4-8(6)16/h3-4,13,20H,1-2H3.
What are the key properties of N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide?
N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide has a molecular weight of 416.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 139921152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).