4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide

C15H20F2N2O3S — CID 87784115

IUPAC4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide
SMILESCCS(=O)(=O)N1CCC(c2cc(F)c(C(N)=O)c(F)c2C)CC1
InChIInChI=1S/C15H20F2N2O3S/c1-3-23(21,22)19-6-4-10(5-7-19)11-8-12(16)13(15(18)20)14(17)9(11)2/h8,10H,3-7H2,1-2H3,(H2,18,20)
InChIKeyBMMFIVOXIFXCHC-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.90
Rot. Bonds4

About 4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide

4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide (PubChem CID 87784115) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound Name4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide
PubChem CID87784115
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide
SMILESCCS(=O)(=O)N1CCC(c2cc(F)c(C(N)=O)c(F)c2C)CC1
InChIInChI=1S/C15H20F2N2O3S/c1-3-23(21,22)19-6-4-10(5-7-19)11-8-12(16)13(15(18)20)14(17)9(11)2/h8,10H,3-7H2,1-2H3,(H2,18,20)
InChIKeyBMMFIVOXIFXCHC-UHFFFAOYSA-N
XLogP1.90
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of 4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide (CID 87784115) is 4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for 4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for 4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide is CCS(=O)(=O)N1CCC(c2cc(F)c(C(N)=O)c(F)c2C)CC1.
What is the InChIKey of 4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is BMMFIVOXIFXCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-3-23(21,22)19-6-4-10(5-7-19)11-8-12(16)13(15(18)20)14(17)9(11)2/h8,10H,3-7H2,1-2H3,(H2,18,20).
What are the key properties of 4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide?
4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 346.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylsulfonylpiperidin-4-yl)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 87784115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).