N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide

C8H12F3N3O2S — CID 102693247

IUPACN-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCCCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C8H12F3N3O2S/c9-8(10,11)4-1-2-5-13-17(15,16)7-3-6-12-14-7/h3,6,13H,1-2,4-5H2,(H,12,14)
InChIKeyIXTAJCBBBDVTTN-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.42
Rot. Bonds6

About N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide

N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693247) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
PubChem CID102693247
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC NameN-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCCCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C8H12F3N3O2S/c9-8(10,11)4-1-2-5-13-17(15,16)7-3-6-12-14-7/h3,6,13H,1-2,4-5H2,(H,12,14)
InChIKeyIXTAJCBBBDVTTN-UHFFFAOYSA-N
XLogP1.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1H-pyrazole-3-sulfonamide
CID 17928041
1H-Pyrazole-5-sulfonyl fluoride
CID 130871771
3-[(Trifluoromethyl)sulfonyl]pyrazole
CID 54057584
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
N-fluoro-1H-pyrazole-5-sulfonamide
CID 140446780
fluoro 1H-pyrazole-5-sulfonate
CID 151130773
2-methylsulfanylethanamine;5-(trifluoromethylsulfonyl)-1H-pyrazole
CID 158382503
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide
CID 102690999
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102691080
N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691536
1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 102691873

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide (CID 102693247) is N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCCCCC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is IXTAJCBBBDVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c9-8(10,11)4-1-2-5-13-17(15,16)7-3-6-12-14-7/h3,6,13H,1-2,4-5H2,(H,12,14).
What are the key properties of N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).