1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide

C8H13F3N4O4S2 — CID 83047283

IUPAC1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide
SMILESCn1cc(S(N)(=O)=O)c(NS(=O)(=O)CCCC(F)(F)F)n1
InChIInChI=1S/C8H13F3N4O4S2/c1-15-5-6(21(12,18)19)7(13-15)14-20(16,17)4-2-3-8(9,10)11/h5H,2-4H2,1H3,(H,13,14)(H2,12,18,19)
InChIKeyQDZBWPIQRSAZAK-UHFFFAOYSA-N
MW350.34 g/mol
LogP0.15
Rot. Bonds6

About 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide

1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide (PubChem CID 83047283) has the molecular formula C8H13F3N4O4S2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide
PubChem CID83047283
Molecular FormulaC8H13F3N4O4S2
Molecular Weight350.34 g/mol
Exact Mass350.03
IUPAC Name1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide
SMILESCn1cc(S(N)(=O)=O)c(NS(=O)(=O)CCCC(F)(F)F)n1
InChIInChI=1S/C8H13F3N4O4S2/c1-15-5-6(21(12,18)19)7(13-15)14-20(16,17)4-2-3-8(9,10)11/h5H,2-4H2,1H3,(H,13,14)(H2,12,18,19)
InChIKeyQDZBWPIQRSAZAK-UHFFFAOYSA-N
XLogP0.15
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide (CID 83047283) is 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide is Cn1cc(S(N)(=O)=O)c(NS(=O)(=O)CCCC(F)(F)F)n1.
What is the InChIKey of 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide?
The InChIKey is QDZBWPIQRSAZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O4S2/c1-15-5-6(21(12,18)19)7(13-15)14-20(16,17)4-2-3-8(9,10)11/h5H,2-4H2,1H3,(H,13,14)(H2,12,18,19).
What are the key properties of 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide?
1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide has a molecular weight of 350.34 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide is sourced from PubChem (CID 83047283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).