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

C8H12F3N3O2S — CID 83059100

IUPAC4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)CCCC(F)(F)F)n[nH]1
InChIInChI=1S/C8H12F3N3O2S/c1-6-5-7(13-12-6)14-17(15,16)4-2-3-8(9,10)11/h5H,2-4H2,1H3,(H2,12,13,14)
InChIKeyUTVUPQMSDDNSHX-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.80
Rot. Bonds5

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

4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide (PubChem CID 83059100) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
PubChem CID83059100
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)CCCC(F)(F)F)n[nH]1
InChIInChI=1S/C8H12F3N3O2S/c1-6-5-7(13-12-6)14-17(15,16)4-2-3-8(9,10)11/h5H,2-4H2,1H3,(H2,12,13,14)
InChIKeyUTVUPQMSDDNSHX-UHFFFAOYSA-N
XLogP1.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide (CID 83059100) is 4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide is Cc1cc(NS(=O)(=O)CCCC(F)(F)F)n[nH]1.
What is the InChIKey of 4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The InChIKey is UTVUPQMSDDNSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-6-5-7(13-12-6)14-17(15,16)4-2-3-8(9,10)11/h5H,2-4H2,1H3,(H2,12,13,14).
What are the key properties of 4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 83059100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).