N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide

C8H12F3N3O2S — CID 113320203

IUPACN-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCCCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C8H12F3N3O2S/c9-8(10,11)3-1-2-4-14-17(15,16)7-5-12-13-6-7/h5-6,14H,1-4H2,(H,12,13)
InChIKeyJNQHHFNDMMUAEP-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.42
Rot. Bonds6

About N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide

N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide (PubChem CID 113320203) 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-4-sulfonamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide
PubChem CID113320203
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC NameN-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCCCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C8H12F3N3O2S/c9-8(10,11)3-1-2-4-14-17(15,16)7-5-12-13-6-7/h5-6,14H,1-4H2,(H,12,13)
InChIKeyJNQHHFNDMMUAEP-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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Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide (CID 113320203) is N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCCCCC(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JNQHHFNDMMUAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c9-8(10,11)3-1-2-4-14-17(15,16)7-5-12-13-6-7/h5-6,14H,1-4H2,(H,12,13).
What are the key properties of N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide?
N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-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-4-sulfonamide is sourced from PubChem (CID 113320203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).