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

C22H15ClF3N3O2S — CID 10344982

IUPAC4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H15ClF3N3O2S/c23-17-7-5-15(6-8-17)14-1-3-16(4-2-14)20-13-21(22(24,25)26)28-29(20)18-9-11-19(12-10-18)32(27,30)31/h1-13H,(H2,27,30,31)
InChIKeyZEJMWWLZBCGZTR-UHFFFAOYSA-N
MW477.90 g/mol
LogP5.53
Rot. Bonds4

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

4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10344982) has the molecular formula C22H15ClF3N3O2S and a molecular weight of 477.90 g/mol. Its IUPAC name is 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10344982
Molecular FormulaC22H15ClF3N3O2S
Molecular Weight477.90 g/mol
Exact Mass477.05
IUPAC Name4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H15ClF3N3O2S/c23-17-7-5-15(6-8-17)14-1-3-16(4-2-14)20-13-21(22(24,25)26)28-29(20)18-9-11-19(12-10-18)32(27,30)31/h1-13H,(H2,27,30,31)
InChIKeyZEJMWWLZBCGZTR-UHFFFAOYSA-N
XLogP5.53
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.90
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10344982) is 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is ZEJMWWLZBCGZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O2S/c23-17-7-5-15(6-8-17)14-1-3-16(4-2-14)20-13-21(22(24,25)26)28-29(20)18-9-11-19(12-10-18)32(27,30)31/h1-13H,(H2,27,30,31).
What are the key properties of 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 477.90 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10344982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).