(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone

C19H19ClFNO4S — CID 90591730

IUPAC(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C19H19ClFNO4S/c1-26-13-5-7-14(8-6-13)27(24,25)15-9-11-22(12-10-15)19(23)18-16(20)3-2-4-17(18)21/h2-8,15H,9-12H2,1H3
InChIKeyYJWRRTGLDPUGDK-UHFFFAOYSA-N
MW411.88 g/mol
LogP3.57
Rot. Bonds4

About (2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 90591730) has the molecular formula C19H19ClFNO4S and a molecular weight of 411.88 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID90591730
Molecular FormulaC19H19ClFNO4S
Molecular Weight411.88 g/mol
Exact Mass411.07
IUPAC Name(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C19H19ClFNO4S/c1-26-13-5-7-14(8-6-13)27(24,25)15-9-11-22(12-10-15)19(23)18-16(20)3-2-4-17(18)21/h2-8,15H,9-12H2,1H3
InChIKeyYJWRRTGLDPUGDK-UHFFFAOYSA-N
XLogP3.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.88
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
(2-chloro-6-fluorophenyl)-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154576628
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 90591694
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]benzonitrile
CID 71809004
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 108544564
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931
[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097554
2,2,3,3,4,4,4-heptafluoro-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]butan-1-one
CID 90591890

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone (CID 90591730) is (2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone is COc1ccc(S(=O)(=O)C2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is YJWRRTGLDPUGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO4S/c1-26-13-5-7-14(8-6-13)27(24,25)15-9-11-22(12-10-15)19(23)18-16(20)3-2-4-17(18)21/h2-8,15H,9-12H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 411.88 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 90591730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).