6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole

C14H17BrF3N3O2S — CID 166911695

IUPAC6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole
SMILESCN(C)S(=O)(=O)NCCc1cn(CC(F)(F)F)c2cc(Br)ccc12
InChIInChI=1S/C14H17BrF3N3O2S/c1-20(2)24(22,23)19-6-5-10-8-21(9-14(16,17)18)13-7-11(15)3-4-12(10)13/h3-4,7-8,19H,5-6,9H2,1-2H3
InChIKeyWBSZKCSQMNXOEE-UHFFFAOYSA-N
MW428.27 g/mol
LogP2.90
Rot. Bonds6

About 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole

6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole (PubChem CID 166911695) has the molecular formula C14H17BrF3N3O2S and a molecular weight of 428.27 g/mol. Its IUPAC name is 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole.

Molecular Properties

Compound Name6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole
PubChem CID166911695
Molecular FormulaC14H17BrF3N3O2S
Molecular Weight428.27 g/mol
Exact Mass427.02
IUPAC Name6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole
SMILESCN(C)S(=O)(=O)NCCc1cn(CC(F)(F)F)c2cc(Br)ccc12
InChIInChI=1S/C14H17BrF3N3O2S/c1-20(2)24(22,23)19-6-5-10-8-21(9-14(16,17)18)13-7-11(15)3-4-12(10)13/h3-4,7-8,19H,5-6,9H2,1-2H3
InChIKeyWBSZKCSQMNXOEE-UHFFFAOYSA-N
XLogP2.90
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide
CID 166912138
6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
CID 166910904
6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole
CID 166910922
6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole
CID 166910693
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole
CID 166912114
3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole
CID 169304906
6-bromo-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid
CID 172674755
3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole
CID 166911574
3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole
CID 166911189
3-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122264
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole
CID 166911075
methyl 2-[6-bromo-3-[2-(dimethylaminosulfanylamino)ethyl]indol-1-yl]acetate
CID 166912125

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole?
The IUPAC name of 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole (CID 166911695) is 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole.
What is the SMILES notation for 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole?
The canonical SMILES for 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole is CN(C)S(=O)(=O)NCCc1cn(CC(F)(F)F)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole?
The InChIKey is WBSZKCSQMNXOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3N3O2S/c1-20(2)24(22,23)19-6-5-10-8-21(9-14(16,17)18)13-7-11(15)3-4-12(10)13/h3-4,7-8,19H,5-6,9H2,1-2H3.
What are the key properties of 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole?
6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole has a molecular weight of 428.27 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole is sourced from PubChem (CID 166911695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).