N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide

C5H6F3N3O2S — CID 102691536

IUPACN-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)3-10-14(12,13)4-1-2-9-11-4/h1-2,10H,3H2,(H,9,11)
InChIKeyWDJNXELUXJPJHX-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.25
Rot. Bonds3

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

N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691536) has the molecular formula C5H6F3N3O2S and a molecular weight of 229.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691536
Molecular FormulaC5H6F3N3O2S
Molecular Weight229.18 g/mol
Exact Mass229.01
IUPAC NameN-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)3-10-14(12,13)4-1-2-9-11-4/h1-2,10H,3H2,(H,9,11)
InChIKeyWDJNXELUXJPJHX-UHFFFAOYSA-N
XLogP0.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (CID 102691536) is N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is WDJNXELUXJPJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S/c6-5(7,8)3-10-14(12,13)4-1-2-9-11-4/h1-2,10H,3H2,(H,9,11).
What are the key properties of N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 229.18 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).