N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide

C24H27F3N2O2S — CID 166910895

IUPACN-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(C(C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C24H27F3N2O2S/c1-15(2)13-29-14-21(16(3)28-32(30,31)18-9-10-18)20-11-8-17(12-23(20)29)19-6-4-5-7-22(19)24(25,26)27/h4-8,11-12,14-16,18,28H,9-10,13H2,1-3H3
InChIKeyBCPDIIYUUXRKFZ-UHFFFAOYSA-N
MW464.55 g/mol
LogP6.13
Rot. Bonds7

About N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide

N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 166910895) has the molecular formula C24H27F3N2O2S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
PubChem CID166910895
Molecular FormulaC24H27F3N2O2S
Molecular Weight464.55 g/mol
Exact Mass464.17
IUPAC NameN-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(C(C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C24H27F3N2O2S/c1-15(2)13-29-14-21(16(3)28-32(30,31)18-9-10-18)20-11-8-17(12-23(20)29)19-6-4-5-7-22(19)24(25,26)27/h4-8,11-12,14-16,18,28H,9-10,13H2,1-3H3
InChIKeyBCPDIIYUUXRKFZ-UHFFFAOYSA-N
XLogP6.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide (CID 166910895) is N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide is CC(C)Cn1cc(C(C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is BCPDIIYUUXRKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2S/c1-15(2)13-29-14-21(16(3)28-32(30,31)18-9-10-18)20-11-8-17(12-23(20)29)19-6-4-5-7-22(19)24(25,26)27/h4-8,11-12,14-16,18,28H,9-10,13H2,1-3H3.
What are the key properties of N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 166910895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).