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

C7H11F3N4O2S — CID 107493944

IUPACN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESNCCN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H11F3N4O2S/c8-7(9,10)5-14(4-2-11)17(15,16)6-1-3-12-13-6/h1,3H,2,4-5,11H2,(H,12,13)
InChIKeyRNWNADWWPSZLND-UHFFFAOYSA-N
MW272.25 g/mol
LogP-0.08
Rot. Bonds5

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

N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 107493944) has the molecular formula C7H11F3N4O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
PubChem CID107493944
Molecular FormulaC7H11F3N4O2S
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC NameN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESNCCN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H11F3N4O2S/c8-7(9,10)5-14(4-2-11)17(15,16)6-1-3-12-13-6/h1,3H,2,4-5,11H2,(H,12,13)
InChIKeyRNWNADWWPSZLND-UHFFFAOYSA-N
XLogP-0.08
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (CID 107493944) is N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is NCCN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is RNWNADWWPSZLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S/c8-7(9,10)5-14(4-2-11)17(15,16)6-1-3-12-13-6/h1,3H,2,4-5,11H2,(H,12,13).
What are the key properties of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 272.25 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107493944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).