N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide

C24H28ClFN2O2S — CID 170345326

IUPACN-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3c(F)cccc3Cl)ccc12
InChIInChI=1S/C24H28ClFN2O2S/c1-15(27-31(29,30)17-9-10-17)19-13-28(14-24(2,3)4)22-12-16(8-11-18(19)22)23-20(25)6-5-7-21(23)26/h5-8,11-13,15,17,27H,9-10,14H2,1-4H3/t15-/m1/s1
InChIKeyUTKFRDHGYQMUNO-OAHLLOKOSA-N
MW463.02 g/mol
LogP6.29
Rot. Bonds6

About N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide

N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 170345326) has the molecular formula C24H28ClFN2O2S and a molecular weight of 463.02 g/mol. Its IUPAC name is N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
PubChem CID170345326
Molecular FormulaC24H28ClFN2O2S
Molecular Weight463.02 g/mol
Exact Mass462.15
IUPAC NameN-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3c(F)cccc3Cl)ccc12
InChIInChI=1S/C24H28ClFN2O2S/c1-15(27-31(29,30)17-9-10-17)19-13-28(14-24(2,3)4)22-12-16(8-11-18(19)22)23-20(25)6-5-7-21(23)26/h5-8,11-13,15,17,27H,9-10,14H2,1-4H3/t15-/m1/s1
InChIKeyUTKFRDHGYQMUNO-OAHLLOKOSA-N
XLogP6.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.02
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345331
N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345210
N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-fluoro-6-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
CID 170345390
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956520
N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide
CID 170345384
N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170346831
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(5-fluoro-3-pyridinyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956690
N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956586
N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345118
N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 163569055
N-[1-deuterio-1-[1-(2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 169304900
N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911205

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide (CID 170345326) is N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide is C[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3c(F)cccc3Cl)ccc12.
What is the InChIKey of N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is UTKFRDHGYQMUNO-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H28ClFN2O2S/c1-15(27-31(29,30)17-9-10-17)19-13-28(14-24(2,3)4)22-12-16(8-11-18(19)22)23-20(25)6-5-7-21(23)26/h5-8,11-13,15,17,27H,9-10,14H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 463.02 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 170345326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).