2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide

C12H16N4O2S — CID 64532096

IUPAC2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCc1ncn[nH]1
InChIInChI=1S/C12H16N4O2S/c17-19(18,9-7-11-4-2-1-3-5-11)15-8-6-12-13-10-14-16-12/h1-5,10,15H,6-9H2,(H,13,14,16)
InChIKeyDUZXYUANHBYIRM-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.51
Rot. Bonds7

About 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide

2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide (PubChem CID 64532096) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
PubChem CID64532096
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCc1ncn[nH]1
InChIInChI=1S/C12H16N4O2S/c17-19(18,9-7-11-4-2-1-3-5-11)15-8-6-12-13-10-14-16-12/h1-5,10,15H,6-9H2,(H,13,14,16)
InChIKeyDUZXYUANHBYIRM-UHFFFAOYSA-N
XLogP0.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 79579464
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532031
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64546169
3-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64548497
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
2-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 79579379
1-(3-aminophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64517241
1-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64523562
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739412
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
3-(propylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-1-sulfonamide
CID 106068101

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide (CID 64532096) is 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCc1ncn[nH]1.
What is the InChIKey of 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is DUZXYUANHBYIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c17-19(18,9-7-11-4-2-1-3-5-11)15-8-6-12-13-10-14-16-12/h1-5,10,15H,6-9H2,(H,13,14,16).
What are the key properties of 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 64532096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).