[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone

C21H20ClFN2O3S — CID 67170382

IUPAC[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc2ccc(F)cc21
InChIInChI=1S/C21H20ClFN2O3S/c1-24-19-13-16(23)5-2-14(19)12-20(24)21(26)25-10-8-18(9-11-25)29(27,28)17-6-3-15(22)4-7-17/h2-7,12-13,18H,8-11H2,1H3
InChIKeyJHSWPGLIOUTXJQ-UHFFFAOYSA-N
MW434.92 g/mol
LogP4.05
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone

[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone (PubChem CID 67170382) has the molecular formula C21H20ClFN2O3S and a molecular weight of 434.92 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone
PubChem CID67170382
Molecular FormulaC21H20ClFN2O3S
Molecular Weight434.92 g/mol
Exact Mass434.09
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc2ccc(F)cc21
InChIInChI=1S/C21H20ClFN2O3S/c1-24-19-13-16(23)5-2-14(19)12-20(24)21(26)25-10-8-18(9-11-25)29(27,28)17-6-3-15(22)4-7-17/h2-7,12-13,18H,8-11H2,1H3
InChIKeyJHSWPGLIOUTXJQ-UHFFFAOYSA-N
XLogP4.05
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.92
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
CID 110850299
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 73168116
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
CID 110853540
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 90589712
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
CID 11825520
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone (CID 67170382) is [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone is Cn1c(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc2ccc(F)cc21.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone?
The InChIKey is JHSWPGLIOUTXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O3S/c1-24-19-13-16(23)5-2-14(19)12-20(24)21(26)25-10-8-18(9-11-25)29(27,28)17-6-3-15(22)4-7-17/h2-7,12-13,18H,8-11H2,1H3.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone?
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone has a molecular weight of 434.92 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone is sourced from PubChem (CID 67170382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).