N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide

C9H6F3N3O2S — CID 102692960

IUPACN-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1F)c1ccn[nH]1
InChIInChI=1S/C9H6F3N3O2S/c10-5-3-6(11)9(12)7(4-5)15-18(16,17)8-1-2-13-14-8/h1-4,15H,(H,13,14)
InChIKeyYNSTVEGAIQIMOG-UHFFFAOYSA-N
MW277.23 g/mol
LogP1.63
Rot. Bonds3

About N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide

N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692960) has the molecular formula C9H6F3N3O2S and a molecular weight of 277.23 g/mol. Its IUPAC name is N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692960
Molecular FormulaC9H6F3N3O2S
Molecular Weight277.23 g/mol
Exact Mass277.01
IUPAC NameN-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1F)c1ccn[nH]1
InChIInChI=1S/C9H6F3N3O2S/c10-5-3-6(11)9(12)7(4-5)15-18(16,17)8-1-2-13-14-8/h1-4,15H,(H,13,14)
InChIKeyYNSTVEGAIQIMOG-UHFFFAOYSA-N
XLogP1.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide (CID 102692960) is N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1F)c1ccn[nH]1.
What is the InChIKey of N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is YNSTVEGAIQIMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2S/c10-5-3-6(11)9(12)7(4-5)15-18(16,17)8-1-2-13-14-8/h1-4,15H,(H,13,14).
What are the key properties of N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide?
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 277.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).