2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide

C15H20N4O3S — CID 126831342

IUPAC2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NCc1nc(C2CCOC2)n[nH]1
InChIInChI=1S/C15H20N4O3S/c1-2-11-5-3-4-6-13(11)23(20,21)16-9-14-17-15(19-18-14)12-7-8-22-10-12/h3-6,12,16H,2,7-10H2,1H3,(H,17,18,19)
InChIKeyOMDNZKHGFYQUDQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.35
Rot. Bonds6

About 2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide

2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide (PubChem CID 126831342) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide
PubChem CID126831342
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NCc1nc(C2CCOC2)n[nH]1
InChIInChI=1S/C15H20N4O3S/c1-2-11-5-3-4-6-13(11)23(20,21)16-9-14-17-15(19-18-14)12-7-8-22-10-12/h3-6,12,16H,2,7-10H2,1H3,(H,17,18,19)
InChIKeyOMDNZKHGFYQUDQ-UHFFFAOYSA-N
XLogP1.35
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide (CID 126831342) is 2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide is CCc1ccccc1S(=O)(=O)NCc1nc(C2CCOC2)n[nH]1.
What is the InChIKey of 2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is OMDNZKHGFYQUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-2-11-5-3-4-6-13(11)23(20,21)16-9-14-17-15(19-18-14)12-7-8-22-10-12/h3-6,12,16H,2,7-10H2,1H3,(H,17,18,19).
What are the key properties of 2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide?
2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 126831342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).