N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide

C14H15F3N4O5S — CID 24884541

IUPACN-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCOc1nc(OC)nc(C(O)c2cccc(F)c2N(C)S(=O)(=O)C(F)F)n1
InChIInChI=1S/C14H15F3N4O5S/c1-21(27(23,24)12(16)17)9-7(5-4-6-8(9)15)10(22)11-18-13(25-2)20-14(19-11)26-3/h4-6,10,12,22H,1-3H3
InChIKeyGBPVNEJZDYWJNZ-UHFFFAOYSA-N
MW408.36 g/mol
LogP1.10
Rot. Bonds7

About N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide

N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 24884541) has the molecular formula C14H15F3N4O5S and a molecular weight of 408.36 g/mol. Its IUPAC name is N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID24884541
Molecular FormulaC14H15F3N4O5S
Molecular Weight408.36 g/mol
Exact Mass408.07
IUPAC NameN-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCOc1nc(OC)nc(C(O)c2cccc(F)c2N(C)S(=O)(=O)C(F)F)n1
InChIInChI=1S/C14H15F3N4O5S/c1-21(27(23,24)12(16)17)9-7(5-4-6-8(9)15)10(22)11-18-13(25-2)20-14(19-11)26-3/h4-6,10,12,22H,1-3H3
InChIKeyGBPVNEJZDYWJNZ-UHFFFAOYSA-N
XLogP1.10
TPSA114.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1,1-difluoro-N-[2-fluoro-6-[(4-formyl-6-methoxy-1,3,5-triazin-2-yl)-hydroxymethyl]phenyl]methanesulfonamide
CID 163988366
(4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol
CID 172539011
3-[(2,5-dichloro-4-ethoxyphenyl)methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole;N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 56953521
N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfinamide
CID 131970078
N-[2-(4-acetyl-6-formyl-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 149027544
1,1,1-trifluoro-N-[2-fluoro-6-[hydroxy-[4-(hydroxymethyl)-6-methoxypyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 71172469
2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117108572
4-chloro-N-[1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62983717
(2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol
CID 139791759
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 62660225
1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 114059130
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide (CID 24884541) is N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide is COc1nc(OC)nc(C(O)c2cccc(F)c2N(C)S(=O)(=O)C(F)F)n1.
What is the InChIKey of N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is GBPVNEJZDYWJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O5S/c1-21(27(23,24)12(16)17)9-7(5-4-6-8(9)15)10(22)11-18-13(25-2)20-14(19-11)26-3/h4-6,10,12,22H,1-3H3.
What are the key properties of N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide?
N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 408.36 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 24884541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).