4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C16H11F4N3O2S — CID 10667777

IUPAC4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(F)c2-c2ccccc2)cc1
InChIInChI=1S/C16H11F4N3O2S/c17-13-14(10-4-2-1-3-5-10)23(22-15(13)16(18,19)20)11-6-8-12(9-7-11)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKeyFUHLJNQTSZQWBE-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.34
Rot. Bonds3

About 4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10667777) has the molecular formula C16H11F4N3O2S and a molecular weight of 385.34 g/mol. Its IUPAC name is 4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10667777
Molecular FormulaC16H11F4N3O2S
Molecular Weight385.34 g/mol
Exact Mass385.05
IUPAC Name4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(F)c2-c2ccccc2)cc1
InChIInChI=1S/C16H11F4N3O2S/c17-13-14(10-4-2-1-3-5-10)23(22-15(13)16(18,19)20)11-6-8-12(9-7-11)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKeyFUHLJNQTSZQWBE-UHFFFAOYSA-N
XLogP3.34
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10667777) is 4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(F)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is FUHLJNQTSZQWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2S/c17-13-14(10-4-2-1-3-5-10)23(22-15(13)16(18,19)20)11-6-8-12(9-7-11)26(21,24)25/h1-9H,(H2,21,24,25).
What are the key properties of 4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 385.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10667777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).