(1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone

C19H19F2NO3S — CID 47065056

IUPAC(1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H19F2NO3S/c20-16-6-7-18(21)17(12-16)19(23)15-8-10-22(11-9-15)26(24,25)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2
InChIKeyMEUWXMASHGBSSH-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.39
Rot. Bonds5

About (1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone

(1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone (PubChem CID 47065056) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is (1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone
PubChem CID47065056
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name(1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H19F2NO3S/c20-16-6-7-18(21)17(12-16)19(23)15-8-10-22(11-9-15)26(24,25)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2
InChIKeyMEUWXMASHGBSSH-UHFFFAOYSA-N
XLogP3.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone (CID 47065056) is (1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone is O=C(c1cc(F)ccc1F)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone?
The InChIKey is MEUWXMASHGBSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c20-16-6-7-18(21)17(12-16)19(23)15-8-10-22(11-9-15)26(24,25)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2.
What are the key properties of (1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone?
(1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone has a molecular weight of 379.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 47065056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).