N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide

C25H28F4N2O3S — CID 166912093

IUPACN-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide
SMILESCOCC(C)(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C25H28F4N2O3S/c1-24(2,15-34-3)14-31-13-16(12-30-35(32,33)17-8-9-17)19-10-22(26)20(11-23(19)31)18-6-4-5-7-21(18)25(27,28)29/h4-7,10-11,13,17,30H,8-9,12,14-15H2,1-3H3
InChIKeyRTOYHWHSEJVRDL-UHFFFAOYSA-N
MW512.57 g/mol
LogP5.72
Rot. Bonds9

About N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide

N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 166912093) has the molecular formula C25H28F4N2O3S and a molecular weight of 512.57 g/mol. Its IUPAC name is N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide
PubChem CID166912093
Molecular FormulaC25H28F4N2O3S
Molecular Weight512.57 g/mol
Exact Mass512.18
IUPAC NameN-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide
SMILESCOCC(C)(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C25H28F4N2O3S/c1-24(2,15-34-3)14-31-13-16(12-30-35(32,33)17-8-9-17)19-10-22(26)20(11-23(19)31)18-6-4-5-7-21(18)25(27,28)29/h4-7,10-11,13,17,30H,8-9,12,14-15H2,1-3H3
InChIKeyRTOYHWHSEJVRDL-UHFFFAOYSA-N
XLogP5.72
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.57
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide with MolForge

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Related Compounds

[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methanamine
CID 166912252
N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-methyl-4-(trifluoromethyl)-3-pyridinyl]indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956789
(1S)-2,2,2-trifluoro-1-[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethanamine
CID 166912253
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 169304895
N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]indol-3-yl]methyl]cyclobutanesulfonamide
CID 168956980
N-[[6-[2-cyano-6-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropyl)indol-3-yl]methyl]cyclopropanesulfonamide
CID 170364055
N-[[1-[2-(chloromethyl)-3-hydroxy-2-methylpropyl]-5-fluoro-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfinamide
CID 166911539
N-[(1R)-1-[1-[2-(chloromethyl)-3-hydroxy-2-methylpropyl]-5-fluoro-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345271
N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956902
N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956874
N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170346831
N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]oxolane-3-sulfonamide
CID 170345319

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide (CID 166912093) is N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide is COCC(C)(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is RTOYHWHSEJVRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N2O3S/c1-24(2,15-34-3)14-31-13-16(12-30-35(32,33)17-8-9-17)19-10-22(26)20(11-23(19)31)18-6-4-5-7-21(18)25(27,28)29/h4-7,10-11,13,17,30H,8-9,12,14-15H2,1-3H3.
What are the key properties of N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide?
N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 512.57 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 166912093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).