4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide

C24H17F6N3O2S — CID 19041452

IUPAC4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccc(C(F)F)cc3)c(C(F)F)nn2-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C24H17F6N3O2S/c25-22(26)15-3-1-13(2-4-15)19-20(24(29)30)32-33(17-9-5-16(6-10-17)23(27)28)21(19)14-7-11-18(12-8-14)36(31,34)35/h1-12,22-24H,(H2,31,34,35)
InChIKeyQZASZMKWSNJVKQ-UHFFFAOYSA-N
MW525.47 g/mol
LogP6.67
Rot. Bonds7

About 4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide

4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide (PubChem CID 19041452) has the molecular formula C24H17F6N3O2S and a molecular weight of 525.47 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide
PubChem CID19041452
Molecular FormulaC24H17F6N3O2S
Molecular Weight525.47 g/mol
Exact Mass525.09
IUPAC Name4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccc(C(F)F)cc3)c(C(F)F)nn2-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C24H17F6N3O2S/c25-22(26)15-3-1-13(2-4-15)19-20(24(29)30)32-33(17-9-5-16(6-10-17)23(27)28)21(19)14-7-11-18(12-8-14)36(31,34)35/h1-12,22-24H,(H2,31,34,35)
InChIKeyQZASZMKWSNJVKQ-UHFFFAOYSA-N
XLogP6.67
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.47
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide
CID 67685589
4-[4-(2,4-dichlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide
CID 19041342
4-[3-(difluoromethyl)-1-(4-methylthiophen-2-yl)-4-phenylpyrazol-5-yl]benzenesulfonamide
CID 67685592
3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-4-phenylpyrazole
CID 19041418
4-[3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-1-phenylpyrazol-4-yl]-N,N-dimethylaniline
CID 23194699
2-[4-bromo-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid
CID 22315393
4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22998040
4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide
CID 21467472
4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 54241160
N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide
CID 67736115
4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide
CID 23209697
N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide
CID 19041369

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide (CID 19041452) is 4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2c(-c3ccc(C(F)F)cc3)c(C(F)F)nn2-c2ccc(C(F)F)cc2)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide?
The InChIKey is QZASZMKWSNJVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6N3O2S/c25-22(26)15-3-1-13(2-4-15)19-20(24(29)30)32-33(17-9-5-16(6-10-17)23(27)28)21(19)14-7-11-18(12-8-14)36(31,34)35/h1-12,22-24H,(H2,31,34,35).
What are the key properties of 4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide has a molecular weight of 525.47 g/mol, XLogP of 6.67, 7 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-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 19041452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).