4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide

C14H20N4O3S — CID 167810001

IUPAC4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCCOCc1cn(Cc2ccc(S(=O)(=O)N(C)C)cc2)nn1
InChIInChI=1S/C14H20N4O3S/c1-4-21-11-13-10-18(16-15-13)9-12-5-7-14(8-6-12)22(19,20)17(2)3/h5-8,10H,4,9,11H2,1-3H3
InChIKeyDMGJEWTXIFJSAN-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.11
Rot. Bonds7

About 4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide

4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 167810001) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID167810001
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCCOCc1cn(Cc2ccc(S(=O)(=O)N(C)C)cc2)nn1
InChIInChI=1S/C14H20N4O3S/c1-4-21-11-13-10-18(16-15-13)9-12-5-7-14(8-6-12)22(19,20)17(2)3/h5-8,10H,4,9,11H2,1-3H3
InChIKeyDMGJEWTXIFJSAN-UHFFFAOYSA-N
XLogP1.11
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide (CID 167810001) is 4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide is CCOCc1cn(Cc2ccc(S(=O)(=O)N(C)C)cc2)nn1.
What is the InChIKey of 4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is DMGJEWTXIFJSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-4-21-11-13-10-18(16-15-13)9-12-5-7-14(8-6-12)22(19,20)17(2)3/h5-8,10H,4,9,11H2,1-3H3.
What are the key properties of 4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 1.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 167810001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).