2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C17H13F4N3O3S — CID 67648328

IUPAC2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1cc(F)ccc1-c1cc(C(F)(F)F)nn1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C17H13F4N3O3S/c1-27-14-8-10(18)6-7-11(14)13-9-16(17(19,20)21)23-24(13)12-4-2-3-5-15(12)28(22,25)26/h2-9H,1H3,(H2,22,25,26)
InChIKeyOOPJEBGYRPUWPJ-UHFFFAOYSA-N
MW415.37 g/mol
LogP3.35
Rot. Bonds4

About 2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67648328) has the molecular formula C17H13F4N3O3S and a molecular weight of 415.37 g/mol. Its IUPAC name is 2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67648328
Molecular FormulaC17H13F4N3O3S
Molecular Weight415.37 g/mol
Exact Mass415.06
IUPAC Name2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1cc(F)ccc1-c1cc(C(F)(F)F)nn1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C17H13F4N3O3S/c1-27-14-8-10(18)6-7-11(14)13-9-16(17(19,20)21)23-24(13)12-4-2-3-5-15(12)28(22,25)26/h2-9H,1H3,(H2,22,25,26)
InChIKeyOOPJEBGYRPUWPJ-UHFFFAOYSA-N
XLogP3.35
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662512
2-[5-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67648516
2-[5-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67647633
2-[5-[4-(diethylamino)-3-fluorophenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67677650
2-[5-(1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662519
5-tert-butyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 58157323
2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 70230174
2-[5-(3-bromo-4-methoxyphenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662320
2-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxomethylidene)benzenesulfonamide
CID 142723007
3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315633
2-[[1-[2-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]amino]benzenesulfonamide
CID 174572060
2-[5-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662430

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 67648328) is 2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is COc1cc(F)ccc1-c1cc(C(F)(F)F)nn1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is OOPJEBGYRPUWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O3S/c1-27-14-8-10(18)6-7-11(14)13-9-16(17(19,20)21)23-24(13)12-4-2-3-5-15(12)28(22,25)26/h2-9H,1H3,(H2,22,25,26).
What are the key properties of 2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 415.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67648328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).