N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide

C20H22F2N2O3S — CID 59185732

IUPACN-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(=O)NC1c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H22F2N2O3S/c1-12(2)28(26,27)24-18-9-10-19(25)23-20(18)14-5-3-13(4-6-14)16-8-7-15(21)11-17(16)22/h3-8,11-12,18,20,24H,9-10H2,1-2H3,(H,23,25)
InChIKeyXBCRWILFRQOCDX-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.28
Rot. Bonds5

About N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide

N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide (PubChem CID 59185732) has the molecular formula C20H22F2N2O3S and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide
PubChem CID59185732
Molecular FormulaC20H22F2N2O3S
Molecular Weight408.47 g/mol
Exact Mass408.13
IUPAC NameN-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(=O)NC1c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H22F2N2O3S/c1-12(2)28(26,27)24-18-9-10-19(25)23-20(18)14-5-3-13(4-6-14)16-8-7-15(21)11-17(16)22/h3-8,11-12,18,20,24H,9-10H2,1-2H3,(H,23,25)
InChIKeyXBCRWILFRQOCDX-UHFFFAOYSA-N
XLogP3.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide (CID 59185732) is N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(=O)NC1c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide?
The InChIKey is XBCRWILFRQOCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3S/c1-12(2)28(26,27)24-18-9-10-19(25)23-20(18)14-5-3-13(4-6-14)16-8-7-15(21)11-17(16)22/h3-8,11-12,18,20,24H,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide?
N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide has a molecular weight of 408.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-difluorophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 59185732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).