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

C23H28F2N2O2S — CID 66744404

IUPAC1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide
SMILESCNCC1Cc2cc(F)c(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C23H28F2N2O2S/c1-26-12-18-9-17-11-23(25)19(13-27-30(28,29)14-15-5-6-15)10-22(17)21(18)8-16-3-2-4-20(24)7-16/h2-4,7,10-11,15,18,21,26-27H,5-6,8-9,12-14H2,1H3
InChIKeyFQJIMMYQVRKPPP-UHFFFAOYSA-N
MW434.55 g/mol
LogP3.51
Rot. Bonds9

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

1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide (PubChem CID 66744404) has the molecular formula C23H28F2N2O2S and a molecular weight of 434.55 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide
PubChem CID66744404
Molecular FormulaC23H28F2N2O2S
Molecular Weight434.55 g/mol
Exact Mass434.18
IUPAC Name1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide
SMILESCNCC1Cc2cc(F)c(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C23H28F2N2O2S/c1-26-12-18-9-17-11-23(25)19(13-27-30(28,29)14-15-5-6-15)10-22(17)21(18)8-16-3-2-4-20(24)7-16/h2-4,7,10-11,15,18,21,26-27H,5-6,8-9,12-14H2,1H3
InChIKeyFQJIMMYQVRKPPP-UHFFFAOYSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide (CID 66744404) is 1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide is CNCC1Cc2cc(F)c(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of 1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
The InChIKey is FQJIMMYQVRKPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O2S/c1-26-12-18-9-17-11-23(25)19(13-27-30(28,29)14-15-5-6-15)10-22(17)21(18)8-16-3-2-4-20(24)7-16/h2-4,7,10-11,15,18,21,26-27H,5-6,8-9,12-14H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide has a molecular weight of 434.55 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 66744404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).