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

C17H14F3N3O3S — CID 10272113

IUPAC4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKeyPPJJDRHEENWOPI-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.21
Rot. Bonds4

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

4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10272113) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10272113
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKeyPPJJDRHEENWOPI-UHFFFAOYSA-N
XLogP3.21
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10272113) is 4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is COc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is PPJJDRHEENWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25).
What are the key properties of 4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 397.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10272113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).