(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone

C19H20FNO3S — CID 1438182

IUPAC(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H20FNO3S/c1-14-2-8-18(9-3-14)25(23,24)21-12-10-16(11-13-21)19(22)15-4-6-17(20)7-5-15/h2-9,16H,10-13H2,1H3
InChIKeyRYGRVYYQMMZOLG-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.42
Rot. Bonds4

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

(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 1438182) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID1438182
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H20FNO3S/c1-14-2-8-18(9-3-14)25(23,24)21-12-10-16(11-13-21)19(22)15-4-6-17(20)7-5-15/h2-9,16H,10-13H2,1H3
InChIKeyRYGRVYYQMMZOLG-UHFFFAOYSA-N
XLogP3.42
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-(4-fluorophenyl)methanone
CID 6736916
3-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 6487028
2-chloro-4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 55914969
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 55913947
[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 110394188
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122373730
cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
CID 82165047
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone (CID 1438182) is (4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is RYGRVYYQMMZOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-14-2-8-18(9-3-14)25(23,24)21-12-10-16(11-13-21)19(22)15-4-6-17(20)7-5-15/h2-9,16H,10-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 361.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 1438182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).