N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

C12H12F3N3O3S — CID 3688912

IUPACN-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(C)n1
InChIInChI=1S/C12H12F3N3O3S/c1-8-7-11(18(2)16-8)17-22(19,20)10-5-3-9(4-6-10)21-12(13,14)15/h3-7,17H,1-2H3
InChIKeyUIWGAIPFBPGCFL-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.43
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3688912) has the molecular formula C12H12F3N3O3S and a molecular weight of 335.31 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3688912
Molecular FormulaC12H12F3N3O3S
Molecular Weight335.31 g/mol
Exact Mass335.06
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(C)n1
InChIInChI=1S/C12H12F3N3O3S/c1-8-7-11(18(2)16-8)17-22(19,20)10-5-3-9(4-6-10)21-12(13,14)15/h3-7,17H,1-2H3
InChIKeyUIWGAIPFBPGCFL-UHFFFAOYSA-N
XLogP2.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 3688912) is N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is UIWGAIPFBPGCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3S/c1-8-7-11(18(2)16-8)17-22(19,20)10-5-3-9(4-6-10)21-12(13,14)15/h3-7,17H,1-2H3.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 335.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3688912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).