1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole

C14H18FNO2S — CID 117177184

IUPAC1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
SMILESCCn1c(CS(=O)(=O)C(C)C)cc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2S/c1-4-16-13(9-19(17,18)10(2)3)8-11-7-12(15)5-6-14(11)16/h5-8,10H,4,9H2,1-3H3
InChIKeyGYSQPSXAKAVBIN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.12
Rot. Bonds4

About 1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole

1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole (PubChem CID 117177184) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
PubChem CID117177184
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
SMILESCCn1c(CS(=O)(=O)C(C)C)cc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2S/c1-4-16-13(9-19(17,18)10(2)3)8-11-7-12(15)5-6-14(11)16/h5-8,10H,4,9H2,1-3H3
InChIKeyGYSQPSXAKAVBIN-UHFFFAOYSA-N
XLogP3.12
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117185368
4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117173790
1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole
CID 117175519
7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117183581
1-ethyl-2-(methylsulfonylmethyl)indol-5-ol
CID 117177179
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine
CID 117121586
1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol
CID 117176675
[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine
CID 117177027
5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117176680
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
1-ethyl-2-(ethylsulfonylmethyl)indole-5-carboxylic acid
CID 117177444

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole?
The IUPAC name of 1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole (CID 117177184) is 1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole?
The canonical SMILES for 1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole is CCn1c(CS(=O)(=O)C(C)C)cc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole?
The InChIKey is GYSQPSXAKAVBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-4-16-13(9-19(17,18)10(2)3)8-11-7-12(15)5-6-14(11)16/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole?
1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole has a molecular weight of 283.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole is sourced from PubChem (CID 117177184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).