2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide

C18H17FN2O3S — CID 16935905

IUPAC2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H17FN2O3S/c1-20(2)18(22)12-21-11-17(15-5-3-4-6-16(15)21)25(23,24)14-9-7-13(19)8-10-14/h3-11H,12H2,1-2H3
InChIKeyOFFVWEGQCSOCKP-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.70
Rot. Bonds4

About 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide

2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide (PubChem CID 16935905) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
PubChem CID16935905
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H17FN2O3S/c1-20(2)18(22)12-21-11-17(15-5-3-4-6-16(15)21)25(23,24)14-9-7-13(19)8-10-14/h3-11H,12H2,1-2H3
InChIKeyOFFVWEGQCSOCKP-UHFFFAOYSA-N
XLogP2.70
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
CID 16935296
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935925
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936051
N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935507
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935986
2-[3-(benzenesulfonyl)indol-1-yl]-N,N-dibenzylacetamide
CID 16841490
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 16935293
2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16935299

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide (CID 16935905) is 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide?
The InChIKey is OFFVWEGQCSOCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-20(2)18(22)12-21-11-17(15-5-3-4-6-16(15)21)25(23,24)14-9-7-13(19)8-10-14/h3-11H,12H2,1-2H3.
What are the key properties of 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide?
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide has a molecular weight of 360.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 16935905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).