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

C18H25N5O5S — CID 122253471

IUPAC3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H25N5O5S/c1-26-14-8-7-13(11-15(14)27-2)29(24,25)19-12-16-20-17(22-18(21-16)28-3)23-9-5-4-6-10-23/h7-8,11,19H,4-6,9-10,12H2,1-3H3
InChIKeyMYTKYAUOGNSSGC-UHFFFAOYSA-N
MW423.50 g/mol
LogP1.37
Rot. Bonds8

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

3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide (PubChem CID 122253471) has the molecular formula C18H25N5O5S and a molecular weight of 423.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
PubChem CID122253471
Molecular FormulaC18H25N5O5S
Molecular Weight423.50 g/mol
Exact Mass423.16
IUPAC Name3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H25N5O5S/c1-26-14-8-7-13(11-15(14)27-2)29(24,25)19-12-16-20-17(22-18(21-16)28-3)23-9-5-4-6-10-23/h7-8,11,19H,4-6,9-10,12H2,1-3H3
InChIKeyMYTKYAUOGNSSGC-UHFFFAOYSA-N
XLogP1.37
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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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
5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253326
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
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide
CID 122253482
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide
CID 119099627
4-methoxy-3-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318146
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837
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-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122253774
2-methoxy-5-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255042
3,4-dimethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248759

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide (CID 122253471) is 3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide is COc1nc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)nc(N2CCCCC2)n1.
What is the InChIKey of 3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is MYTKYAUOGNSSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O5S/c1-26-14-8-7-13(11-15(14)27-2)29(24,25)19-12-16-20-17(22-18(21-16)28-3)23-9-5-4-6-10-23/h7-8,11,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 423.50 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122253471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).