[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone

C23H27F2NO3S — CID 2805782

IUPAC[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c(C)c1C
InChIInChI=1S/C23H27F2NO3S/c1-13-14(2)16(4)22(17(5)15(13)3)23(27)18-8-10-26(11-9-18)30(28,29)21-7-6-19(24)12-20(21)25/h6-7,12,18H,8-11H2,1-5H3
InChIKeyRBVITHGNVAXZCR-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.79
Rot. Bonds4

About [1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone

[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 2805782) has the molecular formula C23H27F2NO3S and a molecular weight of 435.54 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID2805782
Molecular FormulaC23H27F2NO3S
Molecular Weight435.54 g/mol
Exact Mass435.17
IUPAC Name[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c(C)c1C
InChIInChI=1S/C23H27F2NO3S/c1-13-14(2)16(4)22(17(5)15(13)3)23(27)18-8-10-26(11-9-18)30(28,29)21-7-6-19(24)12-20(21)25/h6-7,12,18H,8-11H2,1-5H3
InChIKeyRBVITHGNVAXZCR-UHFFFAOYSA-N
XLogP4.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of [1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone (CID 2805782) is [1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for [1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for [1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1c(C)c(C)c(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c(C)c1C.
What is the InChIKey of [1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is RBVITHGNVAXZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO3S/c1-13-14(2)16(4)22(17(5)15(13)3)23(27)18-8-10-26(11-9-18)30(28,29)21-7-6-19(24)12-20(21)25/h6-7,12,18H,8-11H2,1-5H3.
What are the key properties of [1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone?
[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 435.54 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 2805782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).