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5-[4-ethyl-5-[4-(1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]-pyridinesulfonamide

HCID 17812142
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Basic information

Standard SMILES
CCc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)nc2)c1-c1ccc(-c2cncs2)cc1
InChIKey
RQIIFNOZPHMTIW-UHFFFAOYSA-N
Molecular formula
C20H16F3N5O2S2
Average molar mass
479.5 g/mol
Monoisotopic mass
479.0697516

Names & identifiers

Preferred name
5-[4-ethyl-5-[4-(1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]-pyridinesulfonamide
IUPAC
5-[4-ethyl-5-[4-(1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide

Names & synonyms

5-[4-ethyl-5-[4-(1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]-pyridinesulfonamideSCHEMBL63150575-[4-ethyl-5-[4-(1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]-2-pyridinesulfonamide

Database identifiers

PubChem CID
17812142

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
140 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
32
Formal charge
0
Complexity
742

Related reactions

5 records
New reaction record
HRID 394874 reaction equation
HRID 394874As reactantuspto-grants-2003_08
HRID 394879 reaction equation
HRID 394879As reactantuspto-grants-2003_08
HRID 965963 reaction equation
HRID 965963As reactantuspto-grants-2005_10
HRID 1114680 reaction equation
HRID 1114680As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2336384 reaction equation
HRID 2336384As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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