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

C20H18F4N2O3S2 — CID 162613920

IUPAC4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
SMILESCSc1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)NC23CC(C(F)(F)F)(C2)C3)cc1
InChIInChI=1S/C20H18F4N2O3S2/c1-30-13-3-5-14(6-4-13)31(28,29)26-16-8-12(21)2-7-15(16)17(27)25-19-9-18(10-19,11-19)20(22,23)24/h2-8,26H,9-11H2,1H3,(H,25,27)
InChIKeyTVLXTMODAYSBIJ-UHFFFAOYSA-N
MW474.50 g/mol
LogP4.56
Rot. Bonds6

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

4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide (PubChem CID 162613920) has the molecular formula C20H18F4N2O3S2 and a molecular weight of 474.50 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
PubChem CID162613920
Molecular FormulaC20H18F4N2O3S2
Molecular Weight474.50 g/mol
Exact Mass474.07
IUPAC Name4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
SMILESCSc1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)NC23CC(C(F)(F)F)(C2)C3)cc1
InChIInChI=1S/C20H18F4N2O3S2/c1-30-13-3-5-14(6-4-13)31(28,29)26-16-8-12(21)2-7-15(16)17(27)25-19-9-18(10-19,11-19)20(22,23)24/h2-8,26H,9-11H2,1H3,(H,25,27)
InChIKeyTVLXTMODAYSBIJ-UHFFFAOYSA-N
XLogP4.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(4-cyclopropylsulfonylphenyl)sulfonylamino]-4-fluoro-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 150717777
[4-[[5-methyl-2-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamoyl]phenyl]sulfamoyl]phenyl] methanesulfonate
CID 158883765
2-[(4-methoxyphenyl)sulfonylamino]-4-(trifluoromethyl)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 153282073
[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
4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 168865490
4-tert-butyl-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-[(4-methylsulfonylphenyl)sulfonylamino]benzamide
CID 151178844
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-(azetidin-1-ylsulfonylamino)-4-[(methylideneamino)methyl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 163897932
N-cyclopropyl-N-[4-fluoro-2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 113093216
4-fluoro-2-[(1-oxo-1,4-thiazinan-4-yl)sulfanylamino]-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide
CID 170190893

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide?
The IUPAC name of 4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide (CID 162613920) is 4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide.
What is the SMILES notation for 4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide?
The canonical SMILES for 4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide is CSc1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)NC23CC(C(F)(F)F)(C2)C3)cc1.
What is the InChIKey of 4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide?
The InChIKey is TVLXTMODAYSBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O3S2/c1-30-13-3-5-14(6-4-13)31(28,29)26-16-8-12(21)2-7-15(16)17(27)25-19-9-18(10-19,11-19)20(22,23)24/h2-8,26H,9-11H2,1H3,(H,25,27).
What are the key properties of 4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide?
4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide has a molecular weight of 474.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide is sourced from PubChem (CID 162613920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).