N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide

C13H18N4O3S — CID 131961836

IUPACN-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn(CCOc2ccccc2)nn1
InChIInChI=1S/C13H18N4O3S/c1-2-21(18,19)14-10-12-11-17(16-15-12)8-9-20-13-6-4-3-5-7-13/h3-7,11,14H,2,8-10H2,1H3
InChIKeyRNFGLQYLSSIECJ-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.80
Rot. Bonds8

About N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide

N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide (PubChem CID 131961836) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide
PubChem CID131961836
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn(CCOc2ccccc2)nn1
InChIInChI=1S/C13H18N4O3S/c1-2-21(18,19)14-10-12-11-17(16-15-12)8-9-20-13-6-4-3-5-7-13/h3-7,11,14H,2,8-10H2,1H3
InChIKeyRNFGLQYLSSIECJ-UHFFFAOYSA-N
XLogP0.80
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]acetamide
CID 126842180
N-[[1-(3-phenoxypropyl)triazol-4-yl]methyl]propan-1-amine
CID 66192386
4-(methylsulfonylmethyl)-1-(4-phenoxybutyl)triazole
CID 94945269
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 62452373
N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine
CID 107387810
[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 62455620
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62452374
1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
CID 81444678
1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62451375
N-[[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62453031
4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide
CID 62402229

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide (CID 131961836) is N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cn(CCOc2ccccc2)nn1.
What is the InChIKey of N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide?
The InChIKey is RNFGLQYLSSIECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-2-21(18,19)14-10-12-11-17(16-15-12)8-9-20-13-6-4-3-5-7-13/h3-7,11,14H,2,8-10H2,1H3.
What are the key properties of N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide?
N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 131961836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).