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

C24H28Cl2N2O2S — CID 166910566

IUPACN-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)(C)Cn1cc(CCNS(=O)(=O)C2CC2)c2ccc(-c3ccc(Cl)cc3Cl)cc21
InChIInChI=1S/C24H28Cl2N2O2S/c1-24(2,3)15-28-14-17(10-11-27-31(29,30)19-6-7-19)21-8-4-16(12-23(21)28)20-9-5-18(25)13-22(20)26/h4-5,8-9,12-14,19,27H,6-7,10-11,15H2,1-3H3
InChIKeyFJSAICXJDOUYNG-UHFFFAOYSA-N
MW479.47 g/mol
LogP6.29
Rot. Bonds7

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

N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 166910566) has the molecular formula C24H28Cl2N2O2S and a molecular weight of 479.47 g/mol. Its IUPAC name is N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
PubChem CID166910566
Molecular FormulaC24H28Cl2N2O2S
Molecular Weight479.47 g/mol
Exact Mass478.12
IUPAC NameN-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)(C)Cn1cc(CCNS(=O)(=O)C2CC2)c2ccc(-c3ccc(Cl)cc3Cl)cc21
InChIInChI=1S/C24H28Cl2N2O2S/c1-24(2,3)15-28-14-17(10-11-27-31(29,30)19-6-7-19)21-8-4-16(12-23(21)28)20-9-5-18(25)13-22(20)26/h4-5,8-9,12-14,19,27H,6-7,10-11,15H2,1-3H3
InChIKeyFJSAICXJDOUYNG-UHFFFAOYSA-N
XLogP6.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide (CID 166910566) is N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide is CC(C)(C)Cn1cc(CCNS(=O)(=O)C2CC2)c2ccc(-c3ccc(Cl)cc3Cl)cc21.
What is the InChIKey of N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is FJSAICXJDOUYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O2S/c1-24(2,3)15-28-14-17(10-11-27-31(29,30)19-6-7-19)21-8-4-16(12-23(21)28)20-9-5-18(25)13-22(20)26/h4-5,8-9,12-14,19,27H,6-7,10-11,15H2,1-3H3.
What are the key properties of N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 479.47 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2,4-dichlorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 166910566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).