1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide

C13H11F3N4O4S — CID 67981820

IUPAC1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide
SMILESCOc1nc(C)nc(C(=O)c2cccc(F)c2NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C13H11F3N4O4S/c1-6-17-11(19-13(18-6)24-2)10(21)7-4-3-5-8(14)9(7)20-25(22,23)12(15)16/h3-5,12,20H,1-2H3
InChIKeyXGOHCNBPNIOLMS-UHFFFAOYSA-N
MW376.32 g/mol
LogP1.52
Rot. Bonds6

About 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide

1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide (PubChem CID 67981820) has the molecular formula C13H11F3N4O4S and a molecular weight of 376.32 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide
PubChem CID67981820
Molecular FormulaC13H11F3N4O4S
Molecular Weight376.32 g/mol
Exact Mass376.05
IUPAC Name1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide
SMILESCOc1nc(C)nc(C(=O)c2cccc(F)c2NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C13H11F3N4O4S/c1-6-17-11(19-13(18-6)24-2)10(21)7-4-3-5-8(14)9(7)20-25(22,23)12(15)16/h3-5,12,20H,1-2H3
InChIKeyXGOHCNBPNIOLMS-UHFFFAOYSA-N
XLogP1.52
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide with MolForge

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Related Compounds

3-bromoprop-1-ene;N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfonamide;N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoro-N-prop-2-enylmethanesulfonamide
CID 159257794
N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide
CID 131970267
N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfinamide
CID 131970078
N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide
CID 160807793
methyl 3-fluoro-2-(methanesulfonamido)benzoate
CID 58029841
(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 67350239
1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide
CID 61036850
N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
CID 169372767
1-(2,6-difluorophenyl)-3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]urea
CID 122252778
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
CID 61460236
N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide
CID 67133377

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide (CID 67981820) is 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide is COc1nc(C)nc(C(=O)c2cccc(F)c2NS(=O)(=O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide?
The InChIKey is XGOHCNBPNIOLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O4S/c1-6-17-11(19-13(18-6)24-2)10(21)7-4-3-5-8(14)9(7)20-25(22,23)12(15)16/h3-5,12,20H,1-2H3.
What are the key properties of 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide?
1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide has a molecular weight of 376.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 67981820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).