N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide

C16H20F3N3O3S — CID 55913500

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(C)n(CC(C)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C16H20F3N3O3S/c1-11(10-22-13(3)8-12(2)21-22)9-20-26(23,24)15-6-4-14(5-7-15)25-16(17,18)19/h4-8,11,20H,9-10H2,1-3H3
InChIKeyGYPLDGVGBFRMOV-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.01
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 55913500) has the molecular formula C16H20F3N3O3S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID55913500
Molecular FormulaC16H20F3N3O3S
Molecular Weight391.42 g/mol
Exact Mass391.12
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(C)n(CC(C)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C16H20F3N3O3S/c1-11(10-22-13(3)8-12(2)21-22)9-20-26(23,24)15-6-4-14(5-7-15)25-16(17,18)19/h4-8,11,20H,9-10H2,1-3H3
InChIKeyGYPLDGVGBFRMOV-UHFFFAOYSA-N
XLogP3.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55913760
3-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methoxybenzenesulfonamide
CID 55913499
N-[2-methyl-3-(methylamino)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115302773
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51853666
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 96549725
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121020081
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62447597
N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 104873326
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide
CID 55834250

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 55913500) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1cc(C)n(CC(C)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is GYPLDGVGBFRMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3S/c1-11(10-22-13(3)8-12(2)21-22)9-20-26(23,24)15-6-4-14(5-7-15)25-16(17,18)19/h4-8,11,20H,9-10H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 391.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 55913500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).