3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide

C24H23Cl3F2N6O5S — CID 91544540

IUPAC3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
SMILESCc1cc(-n2c(=O)cc(C)n(C)c2=O)ccc1Cl.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C13H13ClN2O2.C11H10Cl2F2N4O3S/c1-8-6-10(4-5-11(8)14)16-12(17)7-9(2)15(3)13(16)18;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h4-7H,1-3H3;3-4,10,17H,1-2H3
InChIKeyMBUJQFGFJHCHLZ-UHFFFAOYSA-N
MW651.91 g/mol
LogP4.22
Rot. Bonds5

About 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide

3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide (PubChem CID 91544540) has the molecular formula C24H23Cl3F2N6O5S and a molecular weight of 651.91 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
PubChem CID91544540
Molecular FormulaC24H23Cl3F2N6O5S
Molecular Weight651.91 g/mol
Exact Mass650.05
IUPAC Name3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
SMILESCc1cc(-n2c(=O)cc(C)n(C)c2=O)ccc1Cl.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C13H13ClN2O2.C11H10Cl2F2N4O3S/c1-8-6-10(4-5-11(8)14)16-12(17)7-9(2)15(3)13(16)18;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h4-7H,1-3H3;3-4,10,17H,1-2H3
InChIKeyMBUJQFGFJHCHLZ-UHFFFAOYSA-N
XLogP4.22
TPSA129.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.91
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide?
The IUPAC name of 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide (CID 91544540) is 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide is Cc1cc(-n2c(=O)cc(C)n(C)c2=O)ccc1Cl.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.
What is the InChIKey of 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide?
The InChIKey is MBUJQFGFJHCHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2.C11H10Cl2F2N4O3S/c1-8-6-10(4-5-11(8)14)16-12(17)7-9(2)15(3)13(16)18;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h4-7H,1-3H3;3-4,10,17H,1-2H3.
What are the key properties of 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide?
3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide has a molecular weight of 651.91 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenyl)-1,6-dimethylpyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 91544540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).