N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide

C16H12F3N3OS — CID 166048069

IUPACN-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide
SMILESO=S(Nc1cn[nH]c1-c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)12-6-8-13(9-7-12)24(23)22-14-10-20-21-15(14)11-4-2-1-3-5-11/h1-10,22H,(H,20,21)
InChIKeyHPJFRSITKYTPEG-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.23
Rot. Bonds4

About N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide

N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide (PubChem CID 166048069) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide
PubChem CID166048069
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC NameN-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide
SMILESO=S(Nc1cn[nH]c1-c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)12-6-8-13(9-7-12)24(23)22-14-10-20-21-15(14)11-4-2-1-3-5-11/h1-10,22H,(H,20,21)
InChIKeyHPJFRSITKYTPEG-UHFFFAOYSA-N
XLogP4.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide (CID 166048069) is N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide is O=S(Nc1cn[nH]c1-c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide?
The InChIKey is HPJFRSITKYTPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c17-16(18,19)12-6-8-13(9-7-12)24(23)22-14-10-20-21-15(14)11-4-2-1-3-5-11/h1-10,22H,(H,20,21).
What are the key properties of N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide?
N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide has a molecular weight of 351.35 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfinamide is sourced from PubChem (CID 166048069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).