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

C20H15ClF7NO4S — CID 88932904

IUPAC4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C20H15ClF7NO4S/c21-16-2-1-11(5-17(16)33-20(26,27)28)18(30)29-9-10-3-14(4-10)34(31,32)15-7-12(19(23,24)25)6-13(22)8-15/h1-2,5-8,10,14H,3-4,9H2,(H,29,30)
InChIKeyVZTKWJYZVACWFQ-UHFFFAOYSA-N
MW533.85 g/mol
LogP5.38
Rot. Bonds6

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

4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide (PubChem CID 88932904) has the molecular formula C20H15ClF7NO4S and a molecular weight of 533.85 g/mol. Its IUPAC name is 4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide
PubChem CID88932904
Molecular FormulaC20H15ClF7NO4S
Molecular Weight533.85 g/mol
Exact Mass533.03
IUPAC Name4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C20H15ClF7NO4S/c21-16-2-1-11(5-17(16)33-20(26,27)28)18(30)29-9-10-3-14(4-10)34(31,32)15-7-12(19(23,24)25)6-13(22)8-15/h1-2,5-8,10,14H,3-4,9H2,(H,29,30)
InChIKeyVZTKWJYZVACWFQ-UHFFFAOYSA-N
XLogP5.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.85
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)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

N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)benzamide
CID 88950213
N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 88933020
4-chloro-3-(trifluoromethoxy)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]benzamide
CID 87765289
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
N-[[4-[(2-hydroxyphenyl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 44539487
6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 88933082
3-fluoro-N-[[4-[(2-fluoro-3-pyridinyl)-methylamino]cyclohexyl]methyl]-5-(trifluoromethyl)benzamide
CID 68985577
3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 99849672
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of 4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide (CID 88932904) is 4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for 4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for 4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide is O=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1ccc(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is VZTKWJYZVACWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF7NO4S/c21-16-2-1-11(5-17(16)33-20(26,27)28)18(30)29-9-10-3-14(4-10)34(31,32)15-7-12(19(23,24)25)6-13(22)8-15/h1-2,5-8,10,14H,3-4,9H2,(H,29,30).
What are the key properties of 4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide?
4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 533.85 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 88932904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).