4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide

C21H20F4N2O5S2 — CID 166770462

IUPAC4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)NC2CC3(C(F)(F)F)CC2C3)cc1
InChIInChI=1S/C21H20F4N2O5S2/c1-33(29,30)14-3-5-15(6-4-14)34(31,32)27-17-8-13(22)2-7-16(17)19(28)26-18-11-20(21(23,24)25)9-12(18)10-20/h2-8,12,18,27H,9-11H2,1H3,(H,26,28)
InChIKeyPNBWWZUMYCRTGH-UHFFFAOYSA-N
MW520.53 g/mol
LogP3.49
Rot. Bonds6

About 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide

4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide (PubChem CID 166770462) has the molecular formula C21H20F4N2O5S2 and a molecular weight of 520.53 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide
PubChem CID166770462
Molecular FormulaC21H20F4N2O5S2
Molecular Weight520.53 g/mol
Exact Mass520.07
IUPAC Name4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)NC2CC3(C(F)(F)F)CC2C3)cc1
InChIInChI=1S/C21H20F4N2O5S2/c1-33(29,30)14-3-5-15(6-4-14)34(31,32)27-17-8-13(22)2-7-16(17)19(28)26-18-11-20(21(23,24)25)9-12(18)10-20/h2-8,12,18,27H,9-11H2,1H3,(H,26,28)
InChIKeyPNBWWZUMYCRTGH-UHFFFAOYSA-N
XLogP3.49
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-[(4-methylsulfanylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 162613920
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
[4-[[5-(trifluoromethyl)-2-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamoyl]phenyl]sulfamoyl]phenyl] methanesulfonate
CID 153282128
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
2-[(4-methoxyphenyl)sulfonylamino]-4-(trifluoromethyl)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 153282073
N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 47784339
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
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770495
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide?
The IUPAC name of 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide (CID 166770462) is 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide.
What is the SMILES notation for 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide?
The canonical SMILES for 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide is CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)NC2CC3(C(F)(F)F)CC2C3)cc1.
What is the InChIKey of 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide?
The InChIKey is PNBWWZUMYCRTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O5S2/c1-33(29,30)14-3-5-15(6-4-14)34(31,32)27-17-8-13(22)2-7-16(17)19(28)26-18-11-20(21(23,24)25)9-12(18)10-20/h2-8,12,18,27H,9-11H2,1H3,(H,26,28).
What are the key properties of 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide?
4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide has a molecular weight of 520.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]benzamide is sourced from PubChem (CID 166770462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).