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

C18H25BrN2O2S — CID 170345210

IUPACN-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(Br)ccc12
InChIInChI=1S/C18H25BrN2O2S/c1-12(20-24(22,23)14-6-7-14)16-10-21(11-18(2,3)4)17-9-13(19)5-8-15(16)17/h5,8-10,12,14,20H,6-7,11H2,1-4H3/t12-/m1/s1
InChIKeyIOWGCRPDNDVLEZ-GFCCVEGCSA-N
MW413.38 g/mol
LogP4.59
Rot. Bonds5

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

N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 170345210) has the molecular formula C18H25BrN2O2S and a molecular weight of 413.38 g/mol. Its IUPAC name is N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
PubChem CID170345210
Molecular FormulaC18H25BrN2O2S
Molecular Weight413.38 g/mol
Exact Mass412.08
IUPAC NameN-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(Br)ccc12
InChIInChI=1S/C18H25BrN2O2S/c1-12(20-24(22,23)14-6-7-14)16-10-21(11-18(2,3)4)17-9-13(19)5-8-15(16)17/h5,8-10,12,14,20H,6-7,11H2,1-4H3/t12-/m1/s1
InChIKeyIOWGCRPDNDVLEZ-GFCCVEGCSA-N
XLogP4.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345326
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956520
N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345331
N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345329
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-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-methylindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 170347901
N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-fluoro-6-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
CID 170345390
N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956638
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
CID 166911996
N-[1-deuterio-1-[1-(2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 169304900

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide (CID 170345210) is N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide is C[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(Br)ccc12.
What is the InChIKey of N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is IOWGCRPDNDVLEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25BrN2O2S/c1-12(20-24(22,23)14-6-7-14)16-10-21(11-18(2,3)4)17-9-13(19)5-8-15(16)17/h5,8-10,12,14,20H,6-7,11H2,1-4H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 413.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 170345210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).