2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide

C22H20F4N2O5S2 — CID 150717777

IUPAC2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
SMILESO=C(NC12CC(C(F)(F)F)(C1)C2)c1ccc(F)cc1NS(=O)(=O)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C22H20F4N2O5S2/c23-13-1-8-17(19(29)27-21-10-20(11-21,12-21)22(24,25)26)18(9-13)28-35(32,33)16-6-4-15(5-7-16)34(30,31)14-2-3-14/h1,4-9,14,28H,2-3,10-12H2,(H,27,29)
InChIKeyJPFVFKPIWSHXAH-UHFFFAOYSA-N
MW532.54 g/mol
LogP3.78
Rot. Bonds7

About 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide

2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide (PubChem CID 150717777) has the molecular formula C22H20F4N2O5S2 and a molecular weight of 532.54 g/mol. Its IUPAC name is 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide.

Molecular Properties

Compound Name2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
PubChem CID150717777
Molecular FormulaC22H20F4N2O5S2
Molecular Weight532.54 g/mol
Exact Mass532.07
IUPAC Name2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
SMILESO=C(NC12CC(C(F)(F)F)(C1)C2)c1ccc(F)cc1NS(=O)(=O)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C22H20F4N2O5S2/c23-13-1-8-17(19(29)27-21-10-20(11-21,12-21)22(24,25)26)18(9-13)28-35(32,33)16-6-4-15(5-7-16)34(30,31)14-2-3-14/h1,4-9,14,28H,2-3,10-12H2,(H,27,29)
InChIKeyJPFVFKPIWSHXAH-UHFFFAOYSA-N
XLogP3.78
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.54
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide with MolForge

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Related Compounds

4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 162613920
2-[(4-methoxyphenyl)sulfonylamino]-4-(trifluoromethyl)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 153282073
[4-[[5-methyl-2-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamoyl]phenyl]sulfamoyl]phenyl] methanesulfonate
CID 158883765
[4-[[5-(trifluoromethyl)-2-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamoyl]phenyl]sulfamoyl]phenyl] methanesulfonate
CID 153282128
2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-4-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 158071766
4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide
CID 166770462
2-(azetidin-1-ylsulfonylamino)-4-[(methylideneamino)methyl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 163897932
4-tert-butyl-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-[(4-methylsulfonylphenyl)sulfonylamino]benzamide
CID 151178844
N-cyclopropyl-N-[4-fluoro-2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 113093216
methyl 2-amino-5-(trifluoromethyl)benzoate;methyl 2-[(4-methylsulfonylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoate;2-[(4-methylsulfonylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid;2-[(4-methylsulfonylphenyl)sulfonylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 157128382
2-[(6-cyano-2-azaspiro[3.3]heptan-2-yl)sulfonylamino]-4,5-difluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 153282120
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide?
The IUPAC name of 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide (CID 150717777) is 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide.
What is the SMILES notation for 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide?
The canonical SMILES for 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide is O=C(NC12CC(C(F)(F)F)(C1)C2)c1ccc(F)cc1NS(=O)(=O)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide?
The InChIKey is JPFVFKPIWSHXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N2O5S2/c23-13-1-8-17(19(29)27-21-10-20(11-21,12-21)22(24,25)26)18(9-13)28-35(32,33)16-6-4-15(5-7-16)34(30,31)14-2-3-14/h1,4-9,14,28H,2-3,10-12H2,(H,27,29).
What are the key properties of 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide?
2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide has a molecular weight of 532.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide is sourced from PubChem (CID 150717777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).