4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

C15H17F3N4O3S — CID 71808045

IUPAC4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H17F3N4O3S/c1-21(2)26(24,25)12-5-3-11(4-6-12)14(23)19-8-10-22-9-7-13(20-22)15(16,17)18/h3-7,9H,8,10H2,1-2H3,(H,19,23)
InChIKeyPVSNULRHXVBXQK-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.58
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (PubChem CID 71808045) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
PubChem CID71808045
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H17F3N4O3S/c1-21(2)26(24,25)12-5-3-11(4-6-12)14(23)19-8-10-22-9-7-13(20-22)15(16,17)18/h3-7,9H,8,10H2,1-2H3,(H,19,23)
InChIKeyPVSNULRHXVBXQK-UHFFFAOYSA-N
XLogP1.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
4-(dimethylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 894979
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
CID 118725463
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide
CID 118725464
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 7638262
2-[3,5-bis(difluoromethyl)pyrazolyl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4773049
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 51347211
N-[1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934973
N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935413

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (CID 71808045) is 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The InChIKey is PVSNULRHXVBXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-21(2)26(24,25)12-5-3-11(4-6-12)14(23)19-8-10-22-9-7-13(20-22)15(16,17)18/h3-7,9H,8,10H2,1-2H3,(H,19,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide has a molecular weight of 390.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 71808045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).