2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone

C22H23FN2O3S — CID 20902782

IUPAC2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)N1CCCCC1
InChIInChI=1S/C22H23FN2O3S/c23-19-10-4-2-8-17(19)16-29(27,28)21-14-25(20-11-5-3-9-18(20)21)15-22(26)24-12-6-1-7-13-24/h2-5,8-11,14H,1,6-7,12-13,15-16H2
InChIKeyYTALSDJSLIYOEW-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.77
Rot. Bonds5

About 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone

2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 20902782) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone
PubChem CID20902782
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)N1CCCCC1
InChIInChI=1S/C22H23FN2O3S/c23-19-10-4-2-8-17(19)16-29(27,28)21-14-25(20-11-5-3-9-18(20)21)15-22(26)24-12-6-1-7-13-24/h2-5,8-11,14H,1,6-7,12-13,15-16H2
InChIKeyYTALSDJSLIYOEW-UHFFFAOYSA-N
XLogP3.77
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 30559725
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]-1-piperidin-1-ylethanone
CID 18563468
1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563
methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
CID 30559699
1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetonitrile
CID 18563458
1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone
CID 20902781
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834544
1-(azepan-1-yl)-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]ethanone
CID 16935724
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(3-fluorophenyl)acetamide
CID 18563580
N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563455

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone (CID 20902782) is 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone is O=C(Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)N1CCCCC1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is YTALSDJSLIYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c23-19-10-4-2-8-17(19)16-29(27,28)21-14-25(20-11-5-3-9-18(20)21)15-22(26)24-12-6-1-7-13-24/h2-5,8-11,14H,1,6-7,12-13,15-16H2.
What are the key properties of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone?
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 414.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 20902782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).