4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide

C16H20FN5O4S — CID 121137821

IUPAC4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc(F)cc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H20FN5O4S/c1-11-9-12(17)3-4-13(11)27(23,24)18-10-14-19-15(21-16(20-14)25-2)22-5-7-26-8-6-22/h3-4,9,18H,5-8,10H2,1-2H3
InChIKeyLZZGFTMIHCSJAU-UHFFFAOYSA-N
MW397.43 g/mol
LogP0.64
Rot. Bonds6

About 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide

4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide (PubChem CID 121137821) has the molecular formula C16H20FN5O4S and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide
PubChem CID121137821
Molecular FormulaC16H20FN5O4S
Molecular Weight397.43 g/mol
Exact Mass397.12
IUPAC Name4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc(F)cc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H20FN5O4S/c1-11-9-12(17)3-4-13(11)27(23,24)18-10-14-19-15(21-16(20-14)25-2)22-5-7-26-8-6-22/h3-4,9,18H,5-8,10H2,1-2H3
InChIKeyLZZGFTMIHCSJAU-UHFFFAOYSA-N
XLogP0.64
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide with MolForge

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Related Compounds

5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253326
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122253774
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122253920
2-methoxy-5-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255042
2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253379
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122253910
N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122253924
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 122252830
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-fluorobenzenesulfonamide
CID 119099669
1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea
CID 122253781
3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253471

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide (CID 121137821) is 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide is COc1nc(CNS(=O)(=O)c2ccc(F)cc2C)nc(N2CCOCC2)n1.
What is the InChIKey of 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is LZZGFTMIHCSJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O4S/c1-11-9-12(17)3-4-13(11)27(23,24)18-10-14-19-15(21-16(20-14)25-2)22-5-7-26-8-6-22/h3-4,9,18H,5-8,10H2,1-2H3.
What are the key properties of 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 121137821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).