1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole

C14H18FNO2S — CID 117175519

IUPAC1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole
SMILESCCn1cc(CS(=O)(=O)C(C)C)c2cc(F)ccc21
InChIInChI=1S/C14H18FNO2S/c1-4-16-8-11(9-19(17,18)10(2)3)13-7-12(15)5-6-14(13)16/h5-8,10H,4,9H2,1-3H3
InChIKeyGEFZMQNQZJINHZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.12
Rot. Bonds4

About 1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole

1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole (PubChem CID 117175519) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole
PubChem CID117175519
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole
SMILESCCn1cc(CS(=O)(=O)C(C)C)c2cc(F)ccc21
InChIInChI=1S/C14H18FNO2S/c1-4-16-8-11(9-19(17,18)10(2)3)13-7-12(15)5-6-14(13)16/h5-8,10H,4,9H2,1-3H3
InChIKeyGEFZMQNQZJINHZ-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-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole
CID 117185731
[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine
CID 117178755
1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine
CID 22363310
1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
CID 117177184
2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one
CID 162765578
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170867012
5-fluoro-3-(propan-2-ylsulfonylmethyl)-1-benzofuran
CID 117174223
5-bromo-1-ethyl-3-(methylsulfonylmethyl)indole
CID 117175523
2-(1-ethyl-5-fluoroindol-3-yl)propan-1-amine
CID 117121063
5-fluoro-2-(propan-2-ylsulfonylmethyl)aniline
CID 64769392
2-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175570

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole?
The IUPAC name of 1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole (CID 117175519) is 1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole.
What is the SMILES notation for 1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole?
The canonical SMILES for 1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole is CCn1cc(CS(=O)(=O)C(C)C)c2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole?
The InChIKey is GEFZMQNQZJINHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-4-16-8-11(9-19(17,18)10(2)3)13-7-12(15)5-6-14(13)16/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole?
1-ethyl-5-fluoro-3-(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-3-(propan-2-ylsulfonylmethyl)indole is sourced from PubChem (CID 117175519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).