3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride

C12H13ClF3N3O2S — CID 126460275

IUPAC3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H12F3N3O2S.ClH/c1-7-11(8(2)17-16-7)21(19,20)18-10-5-3-4-9(6-10)12(13,14)15;/h3-6,18H,1-2H3,(H,16,17);1H
InChIKeyQNEUAWHYXWJTDD-UHFFFAOYSA-N
MW355.77 g/mol
LogP3.27
Rot. Bonds3

About 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride

3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride (PubChem CID 126460275) has the molecular formula C12H13ClF3N3O2S and a molecular weight of 355.77 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
PubChem CID126460275
Molecular FormulaC12H13ClF3N3O2S
Molecular Weight355.77 g/mol
Exact Mass355.04
IUPAC Name3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H12F3N3O2S.ClH/c1-7-11(8(2)17-16-7)21(19,20)18-10-5-3-4-9(6-10)12(13,14)15;/h3-6,18H,1-2H3,(H,16,17);1H
InChIKeyQNEUAWHYXWJTDD-UHFFFAOYSA-N
XLogP3.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.77
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 155948183
2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 166223413
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
CID 112505341
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60532916
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125
2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 62998902
3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide
CID 8004148
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
N-[6-(3-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113050025

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride (CID 126460275) is 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is QNEUAWHYXWJTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S.ClH/c1-7-11(8(2)17-16-7)21(19,20)18-10-5-3-4-9(6-10)12(13,14)15;/h3-6,18H,1-2H3,(H,16,17);1H.
What are the key properties of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride?
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 355.77 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 126460275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).