N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide

C20H16F7NO3S — CID 88950213

IUPACN-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F7NO3S/c21-15-7-14(20(25,26)27)8-17(9-15)32(30,31)16-5-11(6-16)10-28-18(29)12-1-3-13(4-2-12)19(22,23)24/h1-4,7-9,11,16H,5-6,10H2,(H,28,29)
InChIKeyWYGMVUSMZWBILK-UHFFFAOYSA-N
MW483.41 g/mol
LogP4.85
Rot. Bonds5

About N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide

N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 88950213) has the molecular formula C20H16F7NO3S and a molecular weight of 483.41 g/mol. Its IUPAC name is N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID88950213
Molecular FormulaC20H16F7NO3S
Molecular Weight483.41 g/mol
Exact Mass483.07
IUPAC NameN-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F7NO3S/c21-15-7-14(20(25,26)27)8-17(9-15)32(30,31)16-5-11(6-16)10-28-18(29)12-1-3-13(4-2-12)19(22,23)24/h1-4,7-9,11,16H,5-6,10H2,(H,28,29)
InChIKeyWYGMVUSMZWBILK-UHFFFAOYSA-N
XLogP4.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)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-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide
CID 88932904
N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 88933020
6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 88933082
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 99849672
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide (CID 88950213) is N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide is O=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is WYGMVUSMZWBILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F7NO3S/c21-15-7-14(20(25,26)27)8-17(9-15)32(30,31)16-5-11(6-16)10-28-18(29)12-1-3-13(4-2-12)19(22,23)24/h1-4,7-9,11,16H,5-6,10H2,(H,28,29).
What are the key properties of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide?
N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 483.41 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 88950213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).