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

C24H27Cl2FN2O2S — CID 166911651

IUPACN-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)(C)Cc1cn(CCNS(=O)(=O)C2CC2)c2ccc(-c3c(Cl)cc(F)cc3Cl)cc12
InChIInChI=1S/C24H27Cl2FN2O2S/c1-24(2,3)13-16-14-29(9-8-28-32(30,31)18-5-6-18)22-7-4-15(10-19(16)22)23-20(25)11-17(27)12-21(23)26/h4,7,10-12,14,18,28H,5-6,8-9,13H2,1-3H3
InChIKeyATWUKTDTENNYQO-UHFFFAOYSA-N
MW497.46 g/mol
LogP6.42
Rot. Bonds7

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

N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide (PubChem CID 166911651) has the molecular formula C24H27Cl2FN2O2S and a molecular weight of 497.46 g/mol. Its IUPAC name is N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide
PubChem CID166911651
Molecular FormulaC24H27Cl2FN2O2S
Molecular Weight497.46 g/mol
Exact Mass496.12
IUPAC NameN-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)(C)Cc1cn(CCNS(=O)(=O)C2CC2)c2ccc(-c3c(Cl)cc(F)cc3Cl)cc12
InChIInChI=1S/C24H27Cl2FN2O2S/c1-24(2,3)13-16-14-29(9-8-28-32(30,31)18-5-6-18)22-7-4-15(10-19(16)22)23-20(25)11-17(27)12-21(23)26/h4,7,10-12,14,18,28H,5-6,8-9,13H2,1-3H3
InChIKeyATWUKTDTENNYQO-UHFFFAOYSA-N
XLogP6.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.46
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide (CID 166911651) is N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide is CC(C)(C)Cc1cn(CCNS(=O)(=O)C2CC2)c2ccc(-c3c(Cl)cc(F)cc3Cl)cc12.
What is the InChIKey of N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is ATWUKTDTENNYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2FN2O2S/c1-24(2,3)13-16-14-29(9-8-28-32(30,31)18-5-6-18)22-7-4-15(10-19(16)22)23-20(25)11-17(27)12-21(23)26/h4,7,10-12,14,18,28H,5-6,8-9,13H2,1-3H3.
What are the key properties of N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide?
N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 497.46 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,6-dichloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)indol-1-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 166911651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).