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

C5H6F3N3O2S — CID 60916087

IUPACN-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)3-11-14(12,13)4-1-9-10-2-4/h1-2,11H,3H2,(H,9,10)
InChIKeyGRCIMJYEUZHHGX-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.25
Rot. Bonds3

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

N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60916087) has the molecular formula C5H6F3N3O2S and a molecular weight of 229.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60916087
Molecular FormulaC5H6F3N3O2S
Molecular Weight229.18 g/mol
Exact Mass229.01
IUPAC NameN-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)3-11-14(12,13)4-1-9-10-2-4/h1-2,11H,3H2,(H,9,10)
InChIKeyGRCIMJYEUZHHGX-UHFFFAOYSA-N
XLogP0.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 54594730
1H-pyrazole-4-sulfonyl chloride
CID 22733127
1H-pyrazole-4-sulfonamide
CID 45080579
4-(Methylsulfonyl)-1H-pyrazole
CID 22618510
1H-pyrazole-4-sulfonohydrazide
CID 60917034
1H-pyrazole-4-sulfonyl fluoride
CID 122236175
5-fluoro-1H-pyrazole-4-sulfonyl chloride
CID 115016809
sodium 1H-pyrazole-4-sulfinate
CID 130538090
4-difluoromethanesulfonyl-1H-pyrazole
CID 165997243
1H-Pyrazole-4-sulfonic acid
CID 14986588
1H-pyrazol-2-ium-4-sulfonate
CID 139175172
1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 47267551

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60916087) is N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GRCIMJYEUZHHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S/c6-5(7,8)3-11-14(12,13)4-1-9-10-2-4/h1-2,11H,3H2,(H,9,10).
What are the key properties of N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 229.18 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60916087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).