2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide

C23H24F4N2O3S — CID 150709311

IUPAC2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide
SMILESO=C(NC12CCC(F)(CC1)CC2)c1cc(C(F)(F)F)ccc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C23H24F4N2O3S/c24-21-8-11-22(12-9-21,13-10-21)28-20(30)18-14-17(23(25,26)27)6-7-19(18)29-33(31,32)15-16-4-2-1-3-5-16/h1-7,14,29H,8-13,15H2,(H,28,30)
InChIKeyJNNVWACIDDYZLB-UHFFFAOYSA-N
MW484.52 g/mol
LogP5.19
Rot. Bonds6

About 2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide

2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide (PubChem CID 150709311) has the molecular formula C23H24F4N2O3S and a molecular weight of 484.52 g/mol. Its IUPAC name is 2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide
PubChem CID150709311
Molecular FormulaC23H24F4N2O3S
Molecular Weight484.52 g/mol
Exact Mass484.14
IUPAC Name2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide
SMILESO=C(NC12CCC(F)(CC1)CC2)c1cc(C(F)(F)F)ccc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C23H24F4N2O3S/c24-21-8-11-22(12-9-21,13-10-21)28-20(30)18-14-17(23(25,26)27)6-7-19(18)29-33(31,32)15-16-4-2-1-3-5-16/h1-7,14,29H,8-13,15H2,(H,28,30)
InChIKeyJNNVWACIDDYZLB-UHFFFAOYSA-N
XLogP5.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-(methylsulfanylamino)-5-(trifluoromethyl)benzamide
CID 170190452
N-(4-cyano-1-bicyclo[2.2.1]heptanyl)-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
CID 150330074
2-(benzylsulfonylamino)-5-bromobenzoic acid
CID 45297744
2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide
CID 113486012
N-(4-cyano-1-bicyclo[2.2.2]octanyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)benzamide
CID 146747386
2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
CID 67566217
2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114806531
N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide
CID 69009630
N-(1-bicyclo[1.1.1]pentanyl)-2-[(1-methylcyclopropyl)sulfonylamino]-4-(trifluoromethyl)benzamide
CID 153282084
1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 18891357
2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269364
4-[[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfamoylmethyl]benzoic acid
CID 138697752

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide (CID 150709311) is 2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide is O=C(NC12CCC(F)(CC1)CC2)c1cc(C(F)(F)F)ccc1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide?
The InChIKey is JNNVWACIDDYZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O3S/c24-21-8-11-22(12-9-21,13-10-21)28-20(30)18-14-17(23(25,26)27)6-7-19(18)29-33(31,32)15-16-4-2-1-3-5-16/h1-7,14,29H,8-13,15H2,(H,28,30).
What are the key properties of 2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide?
2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide has a molecular weight of 484.52 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 150709311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).