5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole

C12H15N3O2S — CID 72923216

IUPAC5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole
SMILESCCn1ncnc1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-2-15-12(13-10-14-15)8-9-18(16,17)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyNFTWHYJDMSYGOD-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.31
Rot. Bonds5

About 5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole

5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole (PubChem CID 72923216) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole
PubChem CID72923216
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole
SMILESCCn1ncnc1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-2-15-12(13-10-14-15)8-9-18(16,17)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyNFTWHYJDMSYGOD-UHFFFAOYSA-N
XLogP1.31
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole?
The IUPAC name of 5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole (CID 72923216) is 5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole?
The canonical SMILES for 5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole is CCn1ncnc1CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole?
The InChIKey is NFTWHYJDMSYGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-15-12(13-10-14-15)8-9-18(16,17)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole?
5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole has a molecular weight of 265.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzenesulfonyl)ethyl]-1-ethyl-1,2,4-triazole is sourced from PubChem (CID 72923216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).