N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide

C10H8F3N3O2S — CID 54936966

IUPACN-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)8-3-1-2-4-9(8)16-19(17,18)7-5-14-15-6-7/h1-6,16H,(H,14,15)
InChIKeyWBXNGHYHHJORLN-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.23
Rot. Bonds3

About N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide

N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54936966) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID54936966
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC NameN-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)8-3-1-2-4-9(8)16-19(17,18)7-5-14-15-6-7/h1-6,16H,(H,14,15)
InChIKeyWBXNGHYHHJORLN-UHFFFAOYSA-N
XLogP2.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(trifluoromethyl)phenyl]-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-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274213
N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
CID 47364001
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60916235
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide
CID 60917157
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 54936966) is N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccccc1C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is WBXNGHYHHJORLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c11-10(12,13)8-3-1-2-4-9(8)16-19(17,18)7-5-14-15-6-7/h1-6,16H,(H,14,15).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 291.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54936966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).