N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide

C15H13F3N4O2S — CID 163635019

IUPACN-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1=CCNN1c1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N4O2S/c16-15(17,18)11-4-6-12(7-5-11)25(23,24)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-9,20-21H,10H2
InChIKeyHZIOKPZPGXLTLN-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.24
Rot. Bonds4

About N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 163635019) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID163635019
Molecular FormulaC15H13F3N4O2S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC NameN-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1=CCNN1c1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N4O2S/c16-15(17,18)11-4-6-12(7-5-11)25(23,24)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-9,20-21H,10H2
InChIKeyHZIOKPZPGXLTLN-UHFFFAOYSA-N
XLogP2.24
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyridin-2-ylpyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 166211989
2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
CID 134863771
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 155009376
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 103944025
2-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine
CID 71846469
N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99875681
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191252
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 22185560
N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24538181

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 163635019) is N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1=CCNN1c1ccccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HZIOKPZPGXLTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c16-15(17,18)11-4-6-12(7-5-11)25(23,24)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-9,20-21H,10H2.
What are the key properties of N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 370.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-yl-1,5-dihydropyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 163635019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).