N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide

C15H11F3N4O2S2 — CID 90285722

IUPACN-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4O2S2/c16-15(17,18)25-11-4-6-12(7-5-11)26(23,24)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H
InChIKeyZRMQOBPQSSPLMP-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.68
Rot. Bonds5

About N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide

N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide (PubChem CID 90285722) has the molecular formula C15H11F3N4O2S2 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
PubChem CID90285722
Molecular FormulaC15H11F3N4O2S2
Molecular Weight400.41 g/mol
Exact Mass400.03
IUPAC NameN-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4O2S2/c16-15(17,18)25-11-4-6-12(7-5-11)26(23,24)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H
InChIKeyZRMQOBPQSSPLMP-UHFFFAOYSA-N
XLogP3.68
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide?
The IUPAC name of N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide (CID 90285722) is N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide.
What is the SMILES notation for N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide?
The canonical SMILES for N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide is O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide?
The InChIKey is ZRMQOBPQSSPLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S2/c16-15(17,18)25-11-4-6-12(7-5-11)26(23,24)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H.
What are the key properties of N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide?
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide has a molecular weight of 400.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 90285722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).