(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone

C13H15F2NO3S — CID 90585099

IUPAC(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H15F2NO3S/c1-20(18,19)10-4-6-16(7-5-10)13(17)11-3-2-9(14)8-12(11)15/h2-3,8,10H,4-7H2,1H3
InChIKeyUULJKMPCBZPGHA-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.61
Rot. Bonds2

About (2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone

(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone (PubChem CID 90585099) has the molecular formula C13H15F2NO3S and a molecular weight of 303.33 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
PubChem CID90585099
Molecular FormulaC13H15F2NO3S
Molecular Weight303.33 g/mol
Exact Mass303.07
IUPAC Name(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H15F2NO3S/c1-20(18,19)10-4-6-16(7-5-10)13(17)11-3-2-9(14)8-12(11)15/h2-3,8,10H,4-7H2,1H3
InChIKeyUULJKMPCBZPGHA-UHFFFAOYSA-N
XLogP1.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734174
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,4-difluorophenyl)methanone
CID 90584821
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(3-bromopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 80677225
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone (CID 90585099) is (2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone is CS(=O)(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone?
The InChIKey is UULJKMPCBZPGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3S/c1-20(18,19)10-4-6-16(7-5-10)13(17)11-3-2-9(14)8-12(11)15/h2-3,8,10H,4-7H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone?
(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone has a molecular weight of 303.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 90585099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).