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

C4H4F3N3O2S — CID 91046527

IUPACN-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C4H4F3N3O2S/c5-4(6,7)10-13(11,12)3-1-8-9-2-3/h1-2,10H,(H,8,9)
InChIKeyYDBSLGLWUIBTJW-UHFFFAOYSA-N
MW215.16 g/mol
LogP0.21
Rot. Bonds2

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

N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 91046527) has the molecular formula C4H4F3N3O2S and a molecular weight of 215.16 g/mol. Its IUPAC name is N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
PubChem CID91046527
Molecular FormulaC4H4F3N3O2S
Molecular Weight215.16 g/mol
Exact Mass215.00
IUPAC NameN-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C4H4F3N3O2S/c5-4(6,7)10-13(11,12)3-1-8-9-2-3/h1-2,10H,(H,8,9)
InChIKeyYDBSLGLWUIBTJW-UHFFFAOYSA-N
XLogP0.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 54594730
1H-pyrazole-4-sulfonyl chloride
CID 22733127
1H-pyrazole-4-sulfonamide
CID 45080579
4-(Methylsulfonyl)-1H-pyrazole
CID 22618510
1H-pyrazole-4-sulfonohydrazide
CID 60917034
1H-pyrazole-4-sulfonyl fluoride
CID 122236175
5-fluoro-1H-pyrazole-4-sulfonyl chloride
CID 115016809
sodium 1H-pyrazole-4-sulfinate
CID 130538090
4-difluoromethanesulfonyl-1H-pyrazole
CID 165997243
1H-Pyrazole-4-sulfonic acid
CID 14986588
1H-pyrazol-2-ium-4-sulfonate
CID 139175172
1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 47267551

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (CID 91046527) is N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NC(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YDBSLGLWUIBTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O2S/c5-4(6,7)10-13(11,12)3-1-8-9-2-3/h1-2,10H,(H,8,9).
What are the key properties of N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 215.16 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 91046527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).