N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide

C10H7F4N3O2S — CID 47356709

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cn[nH]c1
InChIInChI=1S/C10H7F4N3O2S/c11-9-2-1-6(3-8(9)10(12,13)14)17-20(18,19)7-4-15-16-5-7/h1-5,17H,(H,15,16)
InChIKeyCKWCLBANJQXWEZ-UHFFFAOYSA-N
MW309.24 g/mol
LogP2.37
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47356709) has the molecular formula C10H7F4N3O2S and a molecular weight of 309.24 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID47356709
Molecular FormulaC10H7F4N3O2S
Molecular Weight309.24 g/mol
Exact Mass309.02
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cn[nH]c1
InChIInChI=1S/C10H7F4N3O2S/c11-9-2-1-6(3-8(9)10(12,13)14)17-20(18,19)7-4-15-16-5-7/h1-5,17H,(H,15,16)
InChIKeyCKWCLBANJQXWEZ-UHFFFAOYSA-N
XLogP2.37
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 47356709) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cn[nH]c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is CKWCLBANJQXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N3O2S/c11-9-2-1-6(3-8(9)10(12,13)14)17-20(18,19)7-4-15-16-5-7/h1-5,17H,(H,15,16).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 309.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47356709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).