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

C7H11F3N4O3S — CID 83102790

IUPAC4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)CCCC(F)(F)F)n1
InChIInChI=1S/C7H11F3N4O3S/c1-17-6-11-5(12-13-6)14-18(15,16)4-2-3-7(8,9)10/h2-4H2,1H3,(H2,11,12,13,14)
InChIKeyWWDKPCFGNCMTMG-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.90
Rot. Bonds6

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

4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide (PubChem CID 83102790) has the molecular formula C7H11F3N4O3S and a molecular weight of 288.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide
PubChem CID83102790
Molecular FormulaC7H11F3N4O3S
Molecular Weight288.25 g/mol
Exact Mass288.05
IUPAC Name4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)CCCC(F)(F)F)n1
InChIInChI=1S/C7H11F3N4O3S/c1-17-6-11-5(12-13-6)14-18(15,16)4-2-3-7(8,9)10/h2-4H2,1H3,(H2,11,12,13,14)
InChIKeyWWDKPCFGNCMTMG-UHFFFAOYSA-N
XLogP0.90
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide (CID 83102790) is 4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide is COc1n[nH]c(NS(=O)(=O)CCCC(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide?
The InChIKey is WWDKPCFGNCMTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O3S/c1-17-6-11-5(12-13-6)14-18(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-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide has a molecular weight of 288.25 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 83102790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).