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

C16H12F3N3O2S — CID 155009376

IUPACN-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1-c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)12-6-8-13(9-7-12)25(23,24)22-14-10-20-21-15(14)11-4-2-1-3-5-11/h1-10,22H,(H,20,21)
InChIKeyODJLROSTXPAVME-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.90
Rot. Bonds4

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

N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 155009376) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID155009376
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1-c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)12-6-8-13(9-7-12)25(23,24)22-14-10-20-21-15(14)11-4-2-1-3-5-11/h1-10,22H,(H,20,21)
InChIKeyODJLROSTXPAVME-UHFFFAOYSA-N
XLogP3.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 155009376) is N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cn[nH]c1-c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ODJLROSTXPAVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)12-6-8-13(9-7-12)25(23,24)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)benzenesulfonamide?
N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 367.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 155009376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).