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

C14H16F3N5O4S — CID 121137624

IUPACN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C14H16F3N5O4S/c1-22(2)12-19-11(20-13(21-12)25-3)8-18-27(23,24)10-7-5-4-6-9(10)26-14(15,16)17/h4-7,18H,8H2,1-3H3
InChIKeyHTDYLTWIGQDCAA-UHFFFAOYSA-N
MW407.37 g/mol
LogP1.32
Rot. Bonds7

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

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 121137624) has the molecular formula C14H16F3N5O4S and a molecular weight of 407.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID121137624
Molecular FormulaC14H16F3N5O4S
Molecular Weight407.37 g/mol
Exact Mass407.09
IUPAC NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C14H16F3N5O4S/c1-22(2)12-19-11(20-13(21-12)25-3)8-18-27(23,24)10-7-5-4-6-9(10)26-14(15,16)17/h4-7,18H,8H2,1-3H3
InChIKeyHTDYLTWIGQDCAA-UHFFFAOYSA-N
XLogP1.32
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide with MolForge

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Related Compounds

2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide
CID 121137631
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122253077
N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 121137623
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122322701
3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122253095
2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253379
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 122252830
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122253099
N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 6735005

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 121137624) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide is COc1nc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is HTDYLTWIGQDCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O4S/c1-22(2)12-19-11(20-13(21-12)25-3)8-18-27(23,24)10-7-5-4-6-9(10)26-14(15,16)17/h4-7,18H,8H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 407.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 121137624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).