5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide

C13H14F3N3O3S — CID 166275064

IUPAC5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)n1ccc(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)n1
InChIInChI=1S/C13H14F3N3O3S/c1-8(2)19-6-5-10(18-19)9-3-4-11(22-13(14,15)16)12(7-9)23(17,20)21/h3-8H,1-2H3,(H2,17,20,21)
InChIKeySDHXARIPVZWXRG-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.68
Rot. Bonds4

About 5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide

5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 166275064) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is 5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID166275064
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC Name5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)n1ccc(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)n1
InChIInChI=1S/C13H14F3N3O3S/c1-8(2)19-6-5-10(18-19)9-3-4-11(22-13(14,15)16)12(7-9)23(17,20)21/h3-8H,1-2H3,(H2,17,20,21)
InChIKeySDHXARIPVZWXRG-UHFFFAOYSA-N
XLogP2.68
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866370
5-iodo-2-(trifluoromethoxy)benzenesulfonamide
CID 170998338
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole
CID 122658507
ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866228
5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 167980928
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole
CID 174113164
3-(4-ethylphenyl)-1-propan-2-ylpyrazole
CID 176678956
4-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118829617
3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 64773470
ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866525
3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole
CID 175879284
3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane
CID 144866404

Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide (CID 166275064) is 5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide is CC(C)n1ccc(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)n1.
What is the InChIKey of 5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SDHXARIPVZWXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-8(2)19-6-5-10(18-19)9-3-4-11(22-13(14,15)16)12(7-9)23(17,20)21/h3-8H,1-2H3,(H2,17,20,21).
What are the key properties of 5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide?
5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 349.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 166275064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).