4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide

C22H14F5N3O2S — CID 19041287

IUPAC4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3F)c(C(F)(F)F)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H14F5N3O2S/c23-14-8-11-17(18(24)12-14)19-20(13-6-9-16(10-7-13)33(28,31)32)30(15-4-2-1-3-5-15)29-21(19)22(25,26)27/h1-12H,(H2,28,31,32)
InChIKeyGGJKXIFALKLNGA-UHFFFAOYSA-N
MW479.43 g/mol
LogP5.15
Rot. Bonds4

About 4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide

4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 19041287) has the molecular formula C22H14F5N3O2S and a molecular weight of 479.43 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID19041287
Molecular FormulaC22H14F5N3O2S
Molecular Weight479.43 g/mol
Exact Mass479.07
IUPAC Name4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3F)c(C(F)(F)F)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H14F5N3O2S/c23-14-8-11-17(18(24)12-14)19-20(13-6-9-16(10-7-13)33(28,31)32)30(15-4-2-1-3-5-15)29-21(19)22(25,26)27/h1-12H,(H2,28,31,32)
InChIKeyGGJKXIFALKLNGA-UHFFFAOYSA-N
XLogP5.15
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (CID 19041287) is 4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3F)c(C(F)(F)F)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is GGJKXIFALKLNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N3O2S/c23-14-8-11-17(18(24)12-14)19-20(13-6-9-16(10-7-13)33(28,31)32)30(15-4-2-1-3-5-15)29-21(19)22(25,26)27/h1-12H,(H2,28,31,32).
What are the key properties of 4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 479.43 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 19041287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).