5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

C5H3F3N4O2S — CID 89483555

IUPAC5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESN#Cc1[nH]ncc1S(=O)(=O)NC(F)(F)F
InChIInChI=1S/C5H3F3N4O2S/c6-5(7,8)12-15(13,14)4-2-10-11-3(4)1-9/h2,12H,(H,10,11)
InChIKeyMPVWRWQBETWAEL-UHFFFAOYSA-N
MW240.17 g/mol
LogP0.08
Rot. Bonds2

About 5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 89483555) has the molecular formula C5H3F3N4O2S and a molecular weight of 240.17 g/mol. Its IUPAC name is 5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
PubChem CID89483555
Molecular FormulaC5H3F3N4O2S
Molecular Weight240.17 g/mol
Exact Mass239.99
IUPAC Name5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESN#Cc1[nH]ncc1S(=O)(=O)NC(F)(F)F
InChIInChI=1S/C5H3F3N4O2S/c6-5(7,8)12-15(13,14)4-2-10-11-3(4)1-9/h2,12H,(H,10,11)
InChIKeyMPVWRWQBETWAEL-UHFFFAOYSA-N
XLogP0.08
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (CID 89483555) is 5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is N#Cc1[nH]ncc1S(=O)(=O)NC(F)(F)F.
What is the InChIKey of 5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is MPVWRWQBETWAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N4O2S/c6-5(7,8)12-15(13,14)4-2-10-11-3(4)1-9/h2,12H,(H,10,11).
What are the key properties of 5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 240.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 89483555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).