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

C7H10F3N3O3S — CID 102692310

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(c1ccn[nH]1)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H10F3N3O3S/c8-7(9,10)5-13(3-4-14)17(15,16)6-1-2-11-12-6/h1-2,14H,3-5H2,(H,11,12)
InChIKeyWNDFJFADPNYLGG-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.05
Rot. Bonds5

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

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692310) has the molecular formula C7H10F3N3O3S and a molecular weight of 273.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692310
Molecular FormulaC7H10F3N3O3S
Molecular Weight273.24 g/mol
Exact Mass273.04
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(c1ccn[nH]1)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H10F3N3O3S/c8-7(9,10)5-13(3-4-14)17(15,16)6-1-2-11-12-6/h1-2,14H,3-5H2,(H,11,12)
InChIKeyWNDFJFADPNYLGG-UHFFFAOYSA-N
XLogP-0.05
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (CID 102692310) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(c1ccn[nH]1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is WNDFJFADPNYLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O3S/c8-7(9,10)5-13(3-4-14)17(15,16)6-1-2-11-12-6/h1-2,14H,3-5H2,(H,11,12).
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 273.24 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).