4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide

C16H10F5N3O2S — CID 22745685

IUPAC4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(-c2cc(C(F)F)nn2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C16H10F5N3O2S/c17-9-1-3-10(4-2-9)24-14(7-13(23-24)16(20)21)8-5-11(18)15(12(19)6-8)27(22,25)26/h1-7,16H,(H2,22,25,26)
InChIKeyNGBYWGFRVYHWMZ-UHFFFAOYSA-N
MW403.33 g/mol
LogP3.54
Rot. Bonds4

About 4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide

4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide (PubChem CID 22745685) has the molecular formula C16H10F5N3O2S and a molecular weight of 403.33 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide
PubChem CID22745685
Molecular FormulaC16H10F5N3O2S
Molecular Weight403.33 g/mol
Exact Mass403.04
IUPAC Name4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(-c2cc(C(F)F)nn2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C16H10F5N3O2S/c17-9-1-3-10(4-2-9)24-14(7-13(23-24)16(20)21)8-5-11(18)15(12(19)6-8)27(22,25)26/h1-7,16H,(H2,22,25,26)
InChIKeyNGBYWGFRVYHWMZ-UHFFFAOYSA-N
XLogP3.54
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide (CID 22745685) is 4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide is NS(=O)(=O)c1c(F)cc(-c2cc(C(F)F)nn2-c2ccc(F)cc2)cc1F.
What is the InChIKey of 4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide?
The InChIKey is NGBYWGFRVYHWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3O2S/c17-9-1-3-10(4-2-9)24-14(7-13(23-24)16(20)21)8-5-11(18)15(12(19)6-8)27(22,25)26/h1-7,16H,(H2,22,25,26).
What are the key properties of 4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide?
4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide has a molecular weight of 403.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 22745685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).