2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide

C19H18F2N2O4S — CID 71806479

IUPAC2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C19H18F2N2O4S/c20-19(21)28(26,27)16-6-2-1-5-15(16)18(25)22-13-8-10-14(11-9-13)23-12-4-3-7-17(23)24/h1-2,5-6,8-11,19H,3-4,7,12H2,(H,22,25)
InChIKeyPFGQXKFAZOWANJ-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.45
Rot. Bonds5

About 2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide

2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 71806479) has the molecular formula C19H18F2N2O4S and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID71806479
Molecular FormulaC19H18F2N2O4S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C19H18F2N2O4S/c20-19(21)28(26,27)16-6-2-1-5-15(16)18(25)22-13-8-10-14(11-9-13)23-12-4-3-7-17(23)24/h1-2,5-6,8-11,19H,3-4,7,12H2,(H,22,25)
InChIKeyPFGQXKFAZOWANJ-UHFFFAOYSA-N
XLogP3.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-propylsulfonylbenzamide
CID 39942601
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
N-[4-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687294
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819
3-(methanesulfonamido)-2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92673482
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(thiophene-2-carbonyl)benzamide
CID 38715443
2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8746567
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 31794745
N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 39862925

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 71806479) is 2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is PFGQXKFAZOWANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4S/c20-19(21)28(26,27)16-6-2-1-5-15(16)18(25)22-13-8-10-14(11-9-13)23-12-4-3-7-17(23)24/h1-2,5-6,8-11,19H,3-4,7,12H2,(H,22,25).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 408.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 71806479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).