N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide

C23H28F2N2O2S — CID 66745197

IUPACN-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
SMILESCNCC1Cc2cc(F)c(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C23H28F2N2O2S/c1-26-13-17-10-16-12-23(25)18(14-27-30(28,29)20-6-3-7-20)11-22(16)21(17)9-15-4-2-5-19(24)8-15/h2,4-5,8,11-12,17,20-21,26-27H,3,6-7,9-10,13-14H2,1H3
InChIKeyNJFHGAVKVKREGY-UHFFFAOYSA-N
MW434.55 g/mol
LogP3.65
Rot. Bonds8

About N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide

N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide (PubChem CID 66745197) has the molecular formula C23H28F2N2O2S and a molecular weight of 434.55 g/mol. Its IUPAC name is N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
PubChem CID66745197
Molecular FormulaC23H28F2N2O2S
Molecular Weight434.55 g/mol
Exact Mass434.18
IUPAC NameN-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
SMILESCNCC1Cc2cc(F)c(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C23H28F2N2O2S/c1-26-13-17-10-16-12-23(25)18(14-27-30(28,29)20-6-3-7-20)11-22(16)21(17)9-15-4-2-5-19(24)8-15/h2,4-5,8,11-12,17,20-21,26-27H,3,6-7,9-10,13-14H2,1H3
InChIKeyNJFHGAVKVKREGY-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The IUPAC name of N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide (CID 66745197) is N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The canonical SMILES for N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide is CNCC1Cc2cc(F)c(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The InChIKey is NJFHGAVKVKREGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O2S/c1-26-13-17-10-16-12-23(25)18(14-27-30(28,29)20-6-3-7-20)11-22(16)21(17)9-15-4-2-5-19(24)8-15/h2,4-5,8,11-12,17,20-21,26-27H,3,6-7,9-10,13-14H2,1H3.
What are the key properties of N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide has a molecular weight of 434.55 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide is sourced from PubChem (CID 66745197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).