2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide

C15H18FN3O3S — CID 138003196

IUPAC2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)Cc2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C15H18FN3O3S/c1-23(21,22)19-5-4-12(9-19)18-15(20)6-10-8-17-14-7-11(16)2-3-13(10)14/h2-3,7-8,12,17H,4-6,9H2,1H3,(H,18,20)
InChIKeyBVVKDKDELUFODM-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.00
Rot. Bonds4

About 2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide

2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide (PubChem CID 138003196) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
PubChem CID138003196
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)Cc2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C15H18FN3O3S/c1-23(21,22)19-5-4-12(9-19)18-15(20)6-10-8-17-14-7-11(16)2-3-13(10)14/h2-3,7-8,12,17H,4-6,9H2,1H3,(H,18,20)
InChIKeyBVVKDKDELUFODM-UHFFFAOYSA-N
XLogP1.00
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-N-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetamide
CID 127603569
2-(6-fluoro-1H-indol-3-yl)-N-piperidin-4-ylacetamide
CID 138004293
6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326
2-(5-fluoro-1H-indol-3-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]acetamide
CID 86965249
methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 119041888
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119187887
3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47910340
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
(2R,3R)-1-[2-(6-fluoro-1H-indol-3-yl)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116474
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
CID 110871302

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide (CID 138003196) is 2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide is CS(=O)(=O)N1CCC(NC(=O)Cc2c[nH]c3cc(F)ccc23)C1.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The InChIKey is BVVKDKDELUFODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-23(21,22)19-5-4-12(9-19)18-15(20)6-10-8-17-14-7-11(16)2-3-13(10)14/h2-3,7-8,12,17H,4-6,9H2,1H3,(H,18,20).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide has a molecular weight of 339.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 138003196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).