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

C22H29F3N4O3S — CID 58267291

IUPACN-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C22H29F3N4O3S/c1-15(2)28-33(31,32)17-12-10-16(11-13-17)26-20(30)9-5-6-14-29-19-8-4-3-7-18(19)21(27-29)22(23,24)25/h10-13,15,28H,3-9,14H2,1-2H3,(H,26,30)
InChIKeyBWSHQGXKPSBOIF-UHFFFAOYSA-N
MW486.56 g/mol
LogP4.28
Rot. Bonds9

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

N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide (PubChem CID 58267291) has the molecular formula C22H29F3N4O3S and a molecular weight of 486.56 g/mol. Its IUPAC name is N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
PubChem CID58267291
Molecular FormulaC22H29F3N4O3S
Molecular Weight486.56 g/mol
Exact Mass486.19
IUPAC NameN-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C22H29F3N4O3S/c1-15(2)28-33(31,32)17-12-10-16(11-13-17)26-20(30)9-5-6-14-29-19-8-4-3-7-18(19)21(27-29)22(23,24)25/h10-13,15,28H,3-9,14H2,1-2H3,(H,26,30)
InChIKeyBWSHQGXKPSBOIF-UHFFFAOYSA-N
XLogP4.28
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzenesulfonamide
CID 50992864
2-(5-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (12)
CID 86766211
2-(5-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (16)
CID 86766215
N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858730
N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide
CID 132547259
N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide
CID 134130010
N-hydroxy-8-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]octanamide
CID 134131102
N-{4-[(ethylamino)sulfonyl]phenyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3244508
N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307629
3-[3,5-Dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-YL]-N-(4-fluoro-2-methylphenyl)propanamide
CID 16027763
N-(3-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20855619
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 25163266

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
The IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide (CID 58267291) is N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide.
What is the SMILES notation for N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
The canonical SMILES for N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCn2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
The InChIKey is BWSHQGXKPSBOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N4O3S/c1-15(2)28-33(31,32)17-12-10-16(11-13-17)26-20(30)9-5-6-14-29-19-8-4-3-7-18(19)21(27-29)22(23,24)25/h10-13,15,28H,3-9,14H2,1-2H3,(H,26,30).
What are the key properties of N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide has a molecular weight of 486.56 g/mol, XLogP of 4.28, 9 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]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide is sourced from PubChem (CID 58267291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).