N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide

C21H27F3N4O3S — CID 58267365

IUPACN-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C21H27F3N4O3S/c1-14(2)27-32(30,31)16-11-9-15(10-12-16)25-19(29)8-5-13-28-18-7-4-3-6-17(18)20(26-28)21(22,23)24/h9-12,14,27H,3-8,13H2,1-2H3,(H,25,29)
InChIKeyJPYYNXWKHRFJFL-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.89
Rot. Bonds8

About N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide

N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide (PubChem CID 58267365) has the molecular formula C21H27F3N4O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
PubChem CID58267365
Molecular FormulaC21H27F3N4O3S
Molecular Weight472.53 g/mol
Exact Mass472.18
IUPAC NameN-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C21H27F3N4O3S/c1-14(2)27-32(30,31)16-11-9-15(10-12-16)25-19(29)8-5-13-28-18-7-4-3-6-17(18)20(26-28)21(22,23)24/h9-12,14,27H,3-8,13H2,1-2H3,(H,25,29)
InChIKeyJPYYNXWKHRFJFL-UHFFFAOYSA-N
XLogP3.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267587
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129689
N-(4-ethylphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523622
5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 79194887
N-[4-(butylsulfamoyl)phenyl]-3-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide
CID 67204854
4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119685718
N-butan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 3136365
N-(2-ethylpyrimidin-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 138016921
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 2242183
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527325
4-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614856

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide?
The IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide (CID 58267365) is N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide.
What is the SMILES notation for N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide?
The canonical SMILES for N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)CCCn2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide?
The InChIKey is JPYYNXWKHRFJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O3S/c1-14(2)27-32(30,31)16-11-9-15(10-12-16)25-19(29)8-5-13-28-18-7-4-3-6-17(18)20(26-28)21(22,23)24/h9-12,14,27H,3-8,13H2,1-2H3,(H,25,29).
What are the key properties of N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide?
N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide has a molecular weight of 472.53 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide is sourced from PubChem (CID 58267365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).