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

C7H10F3N3O3S — CID 54877060

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn[nH]c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H10F3N3O3S/c8-7(9,10)5-13(1-2-14)17(15,16)6-3-11-12-4-6/h3-4,14H,1-2,5H2,(H,11,12)
InChIKeyREOWNGWCIDSPMP-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.05
Rot. Bonds5

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

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54877060) 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-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54877060
Molecular FormulaC7H10F3N3O3S
Molecular Weight273.24 g/mol
Exact Mass273.04
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn[nH]c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H10F3N3O3S/c8-7(9,10)5-13(1-2-14)17(15,16)6-3-11-12-4-6/h3-4,14H,1-2,5H2,(H,11,12)
InChIKeyREOWNGWCIDSPMP-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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Related Compounds

1H-pyrazole-4-sulfonamide;2,2,2-trifluoroacetic acid
CID 69731802
N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 91046527
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268117
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268215
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268216
N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47388120
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60916087
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60917319
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959701
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60960173
5-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 61138388
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 61354854

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 54877060) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(c1cn[nH]c1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is REOWNGWCIDSPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O3S/c8-7(9,10)5-13(1-2-14)17(15,16)6-3-11-12-4-6/h3-4,14H,1-2,5H2,(H,11,12).
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-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-4-sulfonamide is sourced from PubChem (CID 54877060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).