N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C8H12F3N3O3S — CID 54877069

IUPACN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H12F3N3O3S/c1-6-7(4-12-13-6)18(16,17)14(2-3-15)5-8(9,10)11/h4,15H,2-3,5H2,1H3,(H,12,13)
InChIKeyRHLAENGSIQRESP-UHFFFAOYSA-N
MW287.26 g/mol
LogP0.26
Rot. Bonds5

About N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54877069) has the molecular formula C8H12F3N3O3S and a molecular weight of 287.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54877069
Molecular FormulaC8H12F3N3O3S
Molecular Weight287.26 g/mol
Exact Mass287.06
IUPAC NameN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H12F3N3O3S/c1-6-7(4-12-13-6)18(16,17)14(2-3-15)5-8(9,10)11/h4,15H,2-3,5H2,1H3,(H,12,13)
InChIKeyRHLAENGSIQRESP-UHFFFAOYSA-N
XLogP0.26
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 54877069) is N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is RHLAENGSIQRESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O3S/c1-6-7(4-12-13-6)18(16,17)14(2-3-15)5-8(9,10)11/h4,15H,2-3,5H2,1H3,(H,12,13).
What are the key properties of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 287.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54877069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).