N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide

C25H30FN3O2S — CID 166911462

IUPACN-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3ccnc4c3CCCC4)cc21
InChIInChI=1S/C25H30FN3O2S/c1-16(2)14-29-15-17(13-28-32(30,31)18-7-8-18)21-11-23(26)22(12-25(21)29)19-9-10-27-24-6-4-3-5-20(19)24/h9-12,15-16,18,28H,3-8,13-14H2,1-2H3
InChIKeyJQTUZWGSGWLEQJ-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.96
Rot. Bonds7

About N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide

N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 166911462) has the molecular formula C25H30FN3O2S and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide
PubChem CID166911462
Molecular FormulaC25H30FN3O2S
Molecular Weight455.60 g/mol
Exact Mass455.20
IUPAC NameN-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3ccnc4c3CCCC4)cc21
InChIInChI=1S/C25H30FN3O2S/c1-16(2)14-29-15-17(13-28-32(30,31)18-7-8-18)21-11-23(26)22(12-25(21)29)19-9-10-27-24-6-4-3-5-20(19)24/h9-12,15-16,18,28H,3-8,13-14H2,1-2H3
InChIKeyJQTUZWGSGWLEQJ-UHFFFAOYSA-N
XLogP4.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide (CID 166911462) is N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide is CC(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3ccnc4c3CCCC4)cc21.
What is the InChIKey of N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is JQTUZWGSGWLEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2S/c1-16(2)14-29-15-17(13-28-32(30,31)18-7-8-18)21-11-23(26)22(12-25(21)29)19-9-10-27-24-6-4-3-5-20(19)24/h9-12,15-16,18,28H,3-8,13-14H2,1-2H3.
What are the key properties of N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide?
N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 455.60 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 166911462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).