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

C5H6F3N3O3S — CID 102690999

IUPACN-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NOCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C5H6F3N3O3S/c6-5(7,8)3-14-11-15(12,13)4-1-2-9-10-4/h1-2,11H,3H2,(H,9,10)
InChIKeyRGYFGIOCBOVVKM-UHFFFAOYSA-N
MW245.18 g/mol
LogP0.18
Rot. Bonds4

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

N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide (PubChem CID 102690999) has the molecular formula C5H6F3N3O3S and a molecular weight of 245.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide
PubChem CID102690999
Molecular FormulaC5H6F3N3O3S
Molecular Weight245.18 g/mol
Exact Mass245.01
IUPAC NameN-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NOCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C5H6F3N3O3S/c6-5(7,8)3-14-11-15(12,13)4-1-2-9-10-4/h1-2,11H,3H2,(H,9,10)
InChIKeyRGYFGIOCBOVVKM-UHFFFAOYSA-N
XLogP0.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide (CID 102690999) is N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide is O=S(=O)(NOCC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide?
The InChIKey is RGYFGIOCBOVVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O3S/c6-5(7,8)3-14-11-15(12,13)4-1-2-9-10-4/h1-2,11H,3H2,(H,9,10).
What are the key properties of N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide?
N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide has a molecular weight of 245.18 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102690999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).