4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide

C7H11F3N4O2S — CID 83058521

IUPAC4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide
SMILESCc1nc(NS(=O)(=O)CCCC(F)(F)F)n[nH]1
InChIInChI=1S/C7H11F3N4O2S/c1-5-11-6(13-12-5)14-17(15,16)4-2-3-7(8,9)10/h2-4H2,1H3,(H2,11,12,13,14)
InChIKeyKZMRVVBJESIDES-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.20
Rot. Bonds5

About 4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide

4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide (PubChem CID 83058521) has the molecular formula C7H11F3N4O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide
PubChem CID83058521
Molecular FormulaC7H11F3N4O2S
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide
SMILESCc1nc(NS(=O)(=O)CCCC(F)(F)F)n[nH]1
InChIInChI=1S/C7H11F3N4O2S/c1-5-11-6(13-12-5)14-17(15,16)4-2-3-7(8,9)10/h2-4H2,1H3,(H2,11,12,13,14)
InChIKeyKZMRVVBJESIDES-UHFFFAOYSA-N
XLogP1.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide (CID 83058521) is 4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide is Cc1nc(NS(=O)(=O)CCCC(F)(F)F)n[nH]1.
What is the InChIKey of 4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide?
The InChIKey is KZMRVVBJESIDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S/c1-5-11-6(13-12-5)14-17(15,16)4-2-3-7(8,9)10/h2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide has a molecular weight of 272.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 83058521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).