4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C18H23F3N4O3S — CID 55913760

IUPAC4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(C)n(CC(C)CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)n1
InChIInChI=1S/C18H23F3N4O3S/c1-12(10-25-14(3)8-13(2)24-25)9-23-29(27,28)16-6-4-15(5-7-16)17(26)22-11-18(19,20)21/h4-8,12,23H,9-11H2,1-3H3,(H,22,26)
InChIKeyYHDMNMGIIWZLLM-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.41
Rot. Bonds8

About 4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55913760) has the molecular formula C18H23F3N4O3S and a molecular weight of 432.47 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55913760
Molecular FormulaC18H23F3N4O3S
Molecular Weight432.47 g/mol
Exact Mass432.14
IUPAC Name4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(C)n(CC(C)CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)n1
InChIInChI=1S/C18H23F3N4O3S/c1-12(10-25-14(3)8-13(2)24-25)9-23-29(27,28)16-6-4-15(5-7-16)17(26)22-11-18(19,20)21/h4-8,12,23H,9-11H2,1-3H3,(H,22,26)
InChIKeyYHDMNMGIIWZLLM-UHFFFAOYSA-N
XLogP2.41
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 55913500
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide
CID 51962923
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51953821
4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78786572
3-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methoxybenzenesulfonamide
CID 55913499
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78877934
4-[(4-ethyl-1,2,4-triazol-3-yl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60539338
tert-butyl N-[4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]carbamate
CID 47047540
3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 51953853
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 86901731

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 55913760) is 4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(C)n(CC(C)CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)n1.
What is the InChIKey of 4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is YHDMNMGIIWZLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O3S/c1-12(10-25-14(3)8-13(2)24-25)9-23-29(27,28)16-6-4-15(5-7-16)17(26)22-11-18(19,20)21/h4-8,12,23H,9-11H2,1-3H3,(H,22,26).
What are the key properties of 4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 432.47 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55913760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).