4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C16H10F5N3O2S — CID 22315448

IUPAC4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H10F5N3O2S/c17-10-5-9(6-11(18)7-10)14-8-15(16(19,20)21)23-24(14)12-1-3-13(4-2-12)27(22,25)26/h1-8H,(H2,22,25,26)
InChIKeyJESLXZVUPBEMGC-UHFFFAOYSA-N
MW403.33 g/mol
LogP3.48
Rot. Bonds3

About 4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315448) has the molecular formula C16H10F5N3O2S and a molecular weight of 403.33 g/mol. Its IUPAC name is 4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315448
Molecular FormulaC16H10F5N3O2S
Molecular Weight403.33 g/mol
Exact Mass403.04
IUPAC Name4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H10F5N3O2S/c17-10-5-9(6-11(18)7-10)14-8-15(16(19,20)21)23-24(14)12-1-3-13(4-2-12)27(22,25)26/h1-8H,(H2,22,25,26)
InChIKeyJESLXZVUPBEMGC-UHFFFAOYSA-N
XLogP3.48
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315448) is 4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is JESLXZVUPBEMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3O2S/c17-10-5-9(6-11(18)7-10)14-8-15(16(19,20)21)23-24(14)12-1-3-13(4-2-12)27(22,25)26/h1-8H,(H2,22,25,26).
What are the key properties of 4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 403.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).