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

C23H18F3N3O2S — CID 10411792

IUPAC4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H18F3N3O2S/c24-23(25,26)22-15-21(29(28-22)19-10-12-20(13-11-19)32(27,30)31)18-8-6-17(7-9-18)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H2,27,30,31)
InChIKeySXHIXAHTLZKEGZ-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.80
Rot. Bonds5

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

4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10411792) has the molecular formula C23H18F3N3O2S and a molecular weight of 457.48 g/mol. Its IUPAC name is 4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10411792
Molecular FormulaC23H18F3N3O2S
Molecular Weight457.48 g/mol
Exact Mass457.11
IUPAC Name4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H18F3N3O2S/c24-23(25,26)22-15-21(29(28-22)19-10-12-20(13-11-19)32(27,30)31)18-8-6-17(7-9-18)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H2,27,30,31)
InChIKeySXHIXAHTLZKEGZ-UHFFFAOYSA-N
XLogP4.80
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10411792) is 4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is SXHIXAHTLZKEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2S/c24-23(25,26)22-15-21(29(28-22)19-10-12-20(13-11-19)32(27,30)31)18-8-6-17(7-9-18)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H2,27,30,31).
What are the key properties of 4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 457.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10411792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).