N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide

C13H11F3N4O4S — CID 131970267

IUPACN-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide
SMILESCOc1nc(OC)nc(C(=O)c2cccc(F)c2NS(=O)C(F)F)n1
InChIInChI=1S/C13H11F3N4O4S/c1-23-12-17-10(18-13(19-12)24-2)9(21)6-4-3-5-7(14)8(6)20-25(22)11(15)16/h3-5,11,20H,1-2H3
InChIKeyPGMPNSNHXWDQMN-UHFFFAOYSA-N
MW376.32 g/mol
LogP1.56
Rot. Bonds7

About N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide

N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide (PubChem CID 131970267) has the molecular formula C13H11F3N4O4S and a molecular weight of 376.32 g/mol. Its IUPAC name is N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide
PubChem CID131970267
Molecular FormulaC13H11F3N4O4S
Molecular Weight376.32 g/mol
Exact Mass376.05
IUPAC NameN-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide
SMILESCOc1nc(OC)nc(C(=O)c2cccc(F)c2NS(=O)C(F)F)n1
InChIInChI=1S/C13H11F3N4O4S/c1-23-12-17-10(18-13(19-12)24-2)9(21)6-4-3-5-7(14)8(6)20-25(22)11(15)16/h3-5,11,20H,1-2H3
InChIKeyPGMPNSNHXWDQMN-UHFFFAOYSA-N
XLogP1.56
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfinamide
CID 131970078
1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide
CID 67981820
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
(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 67350239
1-(2,6-difluorophenyl)-3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]urea
CID 122252778
(4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol
CID 172539011
bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
CID 10734366
N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide
CID 67133377
(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone
CID 57049068
3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
CID 62650638
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-fluorobenzoate
CID 9147872

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide?
The IUPAC name of N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide (CID 131970267) is N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide.
What is the SMILES notation for N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide?
The canonical SMILES for N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide is COc1nc(OC)nc(C(=O)c2cccc(F)c2NS(=O)C(F)F)n1.
What is the InChIKey of N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide?
The InChIKey is PGMPNSNHXWDQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O4S/c1-23-12-17-10(18-13(19-12)24-2)9(21)6-4-3-5-7(14)8(6)20-25(22)11(15)16/h3-5,11,20H,1-2H3.
What are the key properties of N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide?
N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide has a molecular weight of 376.32 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide is sourced from PubChem (CID 131970267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).