N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide

C17H26N6O3S — CID 2252932

IUPACN-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCOc2nc(N(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C17H26N6O3S/c1-12-7-8-13(2)14(11-12)27(24,25)18-9-10-26-17-20-15(22(3)4)19-16(21-17)23(5)6/h7-8,11,18H,9-10H2,1-6H3
InChIKeyAHCXZCYTSUOMOP-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.98
Rot. Bonds8

About N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide

N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 2252932) has the molecular formula C17H26N6O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID2252932
Molecular FormulaC17H26N6O3S
Molecular Weight394.50 g/mol
Exact Mass394.18
IUPAC NameN-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCOc2nc(N(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C17H26N6O3S/c1-12-7-8-13(2)14(11-12)27(24,25)18-9-10-26-17-20-15(22(3)4)19-16(21-17)23(5)6/h7-8,11,18H,9-10H2,1-6H3
InChIKeyAHCXZCYTSUOMOP-UHFFFAOYSA-N
XLogP0.98
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101162
N-[2-(4-bromophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113099742
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
2,5-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
CID 113101603
N-[3-(2-aminoethoxy)propyl]-2,5-dimethylbenzenesulfonamide
CID 106308141
N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113100965
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113102991
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-(3-chloro-4-methoxybutyl)-2,5-dimethylbenzenesulfonamide
CID 106245434
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide (CID 2252932) is N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCOc2nc(N(C)C)nc(N(C)C)n2)c1.
What is the InChIKey of N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is AHCXZCYTSUOMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3S/c1-12-7-8-13(2)14(11-12)27(24,25)18-9-10-26-17-20-15(22(3)4)19-16(21-17)23(5)6/h7-8,11,18H,9-10H2,1-6H3.
What are the key properties of N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide?
N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2252932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).