2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C21H15F3N4O3S — CID 150527692

IUPAC2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC(F)(F)F)cc1-c1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)31-16-4-5-19(32(25,29)30)17(11-16)14-2-1-3-15(10-14)20-18(12-27-28-20)13-6-8-26-9-7-13/h1-12H,(H,27,28)(H2,25,29,30)
InChIKeyIDEAVSCZGXYVQC-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.35
Rot. Bonds5

About 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 150527692) has the molecular formula C21H15F3N4O3S and a molecular weight of 460.44 g/mol. Its IUPAC name is 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID150527692
Molecular FormulaC21H15F3N4O3S
Molecular Weight460.44 g/mol
Exact Mass460.08
IUPAC Name2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC(F)(F)F)cc1-c1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)31-16-4-5-19(32(25,29)30)17(11-16)14-2-1-3-15(10-14)20-18(12-27-28-20)13-6-8-26-9-7-13/h1-12H,(H,27,28)(H2,25,29,30)
InChIKeyIDEAVSCZGXYVQC-UHFFFAOYSA-N
XLogP4.35
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 151220334
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037203
4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
CID 19355817
5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 19355318
4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490711
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134626076
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
CID 3321413
2-methyl-6-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine
CID 58612140
1-(4-tert-butylphenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 44621736
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)aniline;1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 162621799

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 150527692) is 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OC(F)(F)F)cc1-c1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is IDEAVSCZGXYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3S/c22-21(23,24)31-16-4-5-19(32(25,29)30)17(11-16)14-2-1-3-15(10-14)20-18(12-27-28-20)13-6-8-26-9-7-13/h1-12H,(H,27,28)(H2,25,29,30).
What are the key properties of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 460.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 150527692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).