5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide

C5H7F3N4O3S — CID 103213836

IUPAC5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide
SMILESNS(=O)(=O)c1n[nH]c(COCC(F)(F)F)n1
InChIInChI=1S/C5H7F3N4O3S/c6-5(7,8)2-15-1-3-10-4(12-11-3)16(9,13)14/h1-2H2,(H2,9,13,14)(H,10,11,12)
InChIKeyPEPAVMJXCODUDS-UHFFFAOYSA-N
MW260.20 g/mol
LogP-0.47
Rot. Bonds4

About 5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide

5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide (PubChem CID 103213836) has the molecular formula C5H7F3N4O3S and a molecular weight of 260.20 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide
PubChem CID103213836
Molecular FormulaC5H7F3N4O3S
Molecular Weight260.20 g/mol
Exact Mass260.02
IUPAC Name5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide
SMILESNS(=O)(=O)c1n[nH]c(COCC(F)(F)F)n1
InChIInChI=1S/C5H7F3N4O3S/c6-5(7,8)2-15-1-3-10-4(12-11-3)16(9,13)14/h1-2H2,(H2,9,13,14)(H,10,11,12)
InChIKeyPEPAVMJXCODUDS-UHFFFAOYSA-N
XLogP-0.47
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide (CID 103213836) is 5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide is NS(=O)(=O)c1n[nH]c(COCC(F)(F)F)n1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide?
The InChIKey is PEPAVMJXCODUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4O3S/c6-5(7,8)2-15-1-3-10-4(12-11-3)16(9,13)14/h1-2H2,(H2,9,13,14)(H,10,11,12).
What are the key properties of 5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide?
5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide has a molecular weight of 260.20 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103213836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).