[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone

C20H19FN2O3S — CID 90589712

IUPAC[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN2O3S/c21-16-3-5-17(6-4-16)27(25,26)18-8-11-23(12-9-18)20(24)15-2-1-14-7-10-22-19(14)13-15/h1-7,10,13,18,22H,8-9,11-12H2
InChIKeyLZMKTRJSJDWFNU-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.39
Rot. Bonds3

About [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone

[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 90589712) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
PubChem CID90589712
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN2O3S/c21-16-3-5-17(6-4-16)27(25,26)18-8-11-23(12-9-18)20(24)15-2-1-14-7-10-22-19(14)13-15/h1-7,10,13,18,22H,8-9,11-12H2
InChIKeyLZMKTRJSJDWFNU-UHFFFAOYSA-N
XLogP3.39
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 90586727
1H-indol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592273
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
(2-ethyl-1,3-benzothiazol-6-yl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589684
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
[7-(2,5-difluorophenyl)-1,4-thiazepan-4-yl]-(1H-indol-6-yl)methanone
CID 90631778
(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone
CID 75403252
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 73168116
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone (CID 90589712) is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone is O=C(c1ccc2cc[nH]c2c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is LZMKTRJSJDWFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c21-16-3-5-17(6-4-16)27(25,26)18-8-11-23(12-9-18)20(24)15-2-1-14-7-10-22-19(14)13-15/h1-7,10,13,18,22H,8-9,11-12H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone?
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 386.45 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 90589712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).