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

C18H16ClF2NO3S — CID 73168116

IUPAC(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H16ClF2NO3S/c19-17-11-13(21)3-6-16(17)18(23)22-9-7-15(8-10-22)26(24,25)14-4-1-12(20)2-5-14/h1-6,11,15H,7-10H2
InChIKeyDBXUWYSLZQQTDS-UHFFFAOYSA-N
MW399.85 g/mol
LogP3.70
Rot. Bonds3

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

(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 73168116) has the molecular formula C18H16ClF2NO3S and a molecular weight of 399.85 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID73168116
Molecular FormulaC18H16ClF2NO3S
Molecular Weight399.85 g/mol
Exact Mass399.05
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H16ClF2NO3S/c19-17-11-13(21)3-6-16(17)18(23)22-9-7-15(8-10-22)26(24,25)14-4-1-12(20)2-5-14/h1-6,11,15H,7-10H2
InChIKeyDBXUWYSLZQQTDS-UHFFFAOYSA-N
XLogP3.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
CID 90589813
(2-chloro-4-fluorophenyl)-[4-[2-methoxy-5-(oxetan-3-ylsulfonyl)phenyl]piperazin-1-yl]methanone
CID 170743943
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,4-difluorophenyl)methanone
CID 90584821
(2-chloro-4-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638995
N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46461988
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone
CID 67170382
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone (CID 73168116) is (2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is DBXUWYSLZQQTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO3S/c19-17-11-13(21)3-6-16(17)18(23)22-9-7-15(8-10-22)26(24,25)14-4-1-12(20)2-5-14/h1-6,11,15H,7-10H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 399.85 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 73168116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).