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

C20H14F3N3O2S — CID 10112661

IUPAC4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H14F3N3O2S/c21-20(22,23)19-12-18(15-6-5-13-3-1-2-4-14(13)11-15)26(25-19)16-7-9-17(10-8-16)29(24,27)28/h1-12H,(H2,24,27,28)
InChIKeyAZHXEWFJUZPZDG-UHFFFAOYSA-N
MW417.41 g/mol
LogP4.36
Rot. Bonds3

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

4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10112661) has the molecular formula C20H14F3N3O2S and a molecular weight of 417.41 g/mol. Its IUPAC name is 4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10112661
Molecular FormulaC20H14F3N3O2S
Molecular Weight417.41 g/mol
Exact Mass417.08
IUPAC Name4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H14F3N3O2S/c21-20(22,23)19-12-18(15-6-5-13-3-1-2-4-14(13)11-15)26(25-19)16-7-9-17(10-8-16)29(24,27)28/h1-12H,(H2,24,27,28)
InChIKeyAZHXEWFJUZPZDG-UHFFFAOYSA-N
XLogP4.36
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10112661) is 4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is AZHXEWFJUZPZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2S/c21-20(22,23)19-12-18(15-6-5-13-3-1-2-4-14(13)11-15)26(25-19)16-7-9-17(10-8-16)29(24,27)28/h1-12H,(H2,24,27,28).
What are the key properties of 4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 417.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10112661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).