5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide

C7H11F3N4O3S — CID 55260678

IUPAC5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H11F3N4O3S/c8-7(9,10)4-17-2-1-13-18(15,16)5-3-12-14-6(5)11/h3,13H,1-2,4H2,(H3,11,12,14)
InChIKeyBWXOOVBFZZTENH-UHFFFAOYSA-N
MW288.25 g/mol
LogP-0.15
Rot. Bonds6

About 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 55260678) has the molecular formula C7H11F3N4O3S and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID55260678
Molecular FormulaC7H11F3N4O3S
Molecular Weight288.25 g/mol
Exact Mass288.05
IUPAC Name5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H11F3N4O3S/c8-7(9,10)4-17-2-1-13-18(15,16)5-3-12-14-6(5)11/h3,13H,1-2,4H2,(H3,11,12,14)
InChIKeyBWXOOVBFZZTENH-UHFFFAOYSA-N
XLogP-0.15
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide (CID 55260678) is 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is BWXOOVBFZZTENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O3S/c8-7(9,10)4-17-2-1-13-18(15,16)5-3-12-14-6(5)11/h3,13H,1-2,4H2,(H3,11,12,14).
What are the key properties of 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 288.25 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 55260678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).