N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

C12H12F3N3O2S — CID 104621164

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3O2S/c1-2-8-7-16-17-11(8)18-21(19,20)10-5-3-4-9(6-10)12(13,14)15/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyOMHIFGCBJLWLGD-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.79
Rot. Bonds4

About N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 104621164) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID104621164
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3O2S/c1-2-8-7-16-17-11(8)18-21(19,20)10-5-3-4-9(6-10)12(13,14)15/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyOMHIFGCBJLWLGD-UHFFFAOYSA-N
XLogP2.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 79496945
N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
CID 104620974
N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884
N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 115701458
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220
N-(4-ethyl-1H-pyrazol-5-yl)-5-fluoropyridine-3-sulfonamide
CID 113433882
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
CID 104617188
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 91962367
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 104621164) is N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OMHIFGCBJLWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-2-8-7-16-17-11(8)18-21(19,20)10-5-3-4-9(6-10)12(13,14)15/h3-7H,2H2,1H3,(H2,16,17,18).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 319.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 104621164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).