N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide

C23H33FN2O3S — CID 168956520

IUPACN-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(C3CCOCC3)c(F)cc12
InChIInChI=1S/C23H33FN2O3S/c1-15(25-30(27,28)17-5-6-17)20-13-26(14-23(2,3)4)22-12-18(21(24)11-19(20)22)16-7-9-29-10-8-16/h11-13,15-17,25H,5-10,14H2,1-4H3
InChIKeyFOUNFLXRBMLCSL-UHFFFAOYSA-N
MW436.59 g/mol
LogP4.86
Rot. Bonds6

About N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide

N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 168956520) has the molecular formula C23H33FN2O3S and a molecular weight of 436.59 g/mol. Its IUPAC name is N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide
PubChem CID168956520
Molecular FormulaC23H33FN2O3S
Molecular Weight436.59 g/mol
Exact Mass436.22
IUPAC NameN-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(C3CCOCC3)c(F)cc12
InChIInChI=1S/C23H33FN2O3S/c1-15(25-30(27,28)17-5-6-17)20-13-26(14-23(2,3)4)22-12-18(21(24)11-19(20)22)16-7-9-29-10-8-16/h11-13,15-17,25H,5-10,14H2,1-4H3
InChIKeyFOUNFLXRBMLCSL-UHFFFAOYSA-N
XLogP4.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(5-fluoro-3-pyridinyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956690
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-(trifluoromethyl)phenyl]indol-3-yl]ethyl]oxolane-3-sulfonamide
CID 170345319
N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345326
N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956586
N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956638
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-fluoro-6-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
CID 170345390
N-[1-[6-(3-cyano-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956815
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-(chloromethyl)-3-hydroxy-2-methylpropyl]-5-fluoro-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345271

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide (CID 168956520) is N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide is CC(NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(C3CCOCC3)c(F)cc12.
What is the InChIKey of N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is FOUNFLXRBMLCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O3S/c1-15(25-30(27,28)17-5-6-17)20-13-26(14-23(2,3)4)22-12-18(21(24)11-19(20)22)16-7-9-29-10-8-16/h11-13,15-17,25H,5-10,14H2,1-4H3.
What are the key properties of N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide?
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 436.59 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 168956520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).