N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide

C15H11F3N4O2S — CID 90285681

IUPACN-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccnn1-c1ccccn1)C(F)(F)F
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)22(25(23,24)12-6-2-1-3-7-12)14-9-11-20-21(14)13-8-4-5-10-19-13/h1-11H
InChIKeyDYDNLRXGEYEHCA-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.98
Rot. Bonds4

About N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide

N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide (PubChem CID 90285681) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide
PubChem CID90285681
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC NameN-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccnn1-c1ccccn1)C(F)(F)F
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)22(25(23,24)12-6-2-1-3-7-12)14-9-11-20-21(14)13-8-4-5-10-19-13/h1-11H
InChIKeyDYDNLRXGEYEHCA-UHFFFAOYSA-N
XLogP2.98
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide (CID 90285681) is N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(c1ccnn1-c1ccccn1)C(F)(F)F.
What is the InChIKey of N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DYDNLRXGEYEHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c16-15(17,18)22(25(23,24)12-6-2-1-3-7-12)14-9-11-20-21(14)13-8-4-5-10-19-13/h1-11H.
What are the key properties of N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide?
N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide has a molecular weight of 368.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylpyrazol-3-yl)-N-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90285681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).