7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole

C13H16FNO2S — CID 117183581

IUPAC7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
SMILESCC(C)S(=O)(=O)Cc1cc2cccc(F)c2n1C
InChIInChI=1S/C13H16FNO2S/c1-9(2)18(16,17)8-11-7-10-5-4-6-12(14)13(10)15(11)3/h4-7,9H,8H2,1-3H3
InChIKeyAJUHDIFGUROAAX-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.64
Rot. Bonds3

About 7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole

7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole (PubChem CID 117183581) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is 7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole.

Molecular Properties

Compound Name7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
PubChem CID117183581
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC Name7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
SMILESCC(C)S(=O)(=O)Cc1cc2cccc(F)c2n1C
InChIInChI=1S/C13H16FNO2S/c1-9(2)18(16,17)8-11-7-10-5-4-6-12(14)13(10)15(11)3/h4-7,9H,8H2,1-3H3
InChIKeyAJUHDIFGUROAAX-UHFFFAOYSA-N
XLogP2.64
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117185368
5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117176680
1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
CID 117177184
1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol
CID 117176675
7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
CID 117183717
7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
CID 117183688
[1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine
CID 117183419
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993
1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole
CID 117184270
4-fluoro-1-methyl-3-(propan-2-ylsulfonylmethyl)indole
CID 117171230
7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole
CID 117183745
7-fluoro-2-isocyanato-1-methylindole
CID 83817920

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole?
The IUPAC name of 7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole (CID 117183581) is 7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole.
What is the SMILES notation for 7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole?
The canonical SMILES for 7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole is CC(C)S(=O)(=O)Cc1cc2cccc(F)c2n1C.
What is the InChIKey of 7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole?
The InChIKey is AJUHDIFGUROAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c1-9(2)18(16,17)8-11-7-10-5-4-6-12(14)13(10)15(11)3/h4-7,9H,8H2,1-3H3.
What are the key properties of 7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole?
7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole has a molecular weight of 269.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole is sourced from PubChem (CID 117183581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).