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

C16H18F3N5O4S — CID 122253774

IUPACN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H18F3N5O4S/c1-27-15-22-13(21-14(23-15)24-5-7-28-8-6-24)10-20-29(25,26)12-4-2-3-11(9-12)16(17,18)19/h2-4,9,20H,5-8,10H2,1H3
InChIKeyDFMMIRRCLUCERH-UHFFFAOYSA-N
MW433.41 g/mol
LogP1.21
Rot. Bonds6

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

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 122253774) has the molecular formula C16H18F3N5O4S and a molecular weight of 433.41 g/mol. Its IUPAC name is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID122253774
Molecular FormulaC16H18F3N5O4S
Molecular Weight433.41 g/mol
Exact Mass433.10
IUPAC NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H18F3N5O4S/c1-27-15-22-13(21-14(23-15)24-5-7-28-8-6-24)10-20-29(25,26)12-4-2-3-11(9-12)16(17,18)19/h2-4,9,20H,5-8,10H2,1H3
InChIKeyDFMMIRRCLUCERH-UHFFFAOYSA-N
XLogP1.21
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253191
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
4-fluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylbenzenesulfonamide
CID 121137821
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122253920
3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253471
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 71807329
N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122253924
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967327
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122253835
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122253828
2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253379
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 122253370

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 122253774) is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is COc1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DFMMIRRCLUCERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O4S/c1-27-15-22-13(21-14(23-15)24-5-7-28-8-6-24)10-20-29(25,26)12-4-2-3-11(9-12)16(17,18)19/h2-4,9,20H,5-8,10H2,1H3.
What are the key properties of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 433.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 122253774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).