2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide

C13H15F2NO4S — CID 146090869

IUPAC2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)CC2CCCO2)cc1)C(F)F
InChIInChI=1S/C13H15F2NO4S/c14-12(15)13(17)16-9-3-5-11(6-4-9)21(18,19)8-10-2-1-7-20-10/h3-6,10,12H,1-2,7-8H2,(H,16,17)
InChIKeyVHWZJAZVYLKLHQ-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.84
Rot. Bonds5

About 2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide

2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide (PubChem CID 146090869) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide
PubChem CID146090869
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC Name2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)CC2CCCO2)cc1)C(F)F
InChIInChI=1S/C13H15F2NO4S/c14-12(15)13(17)16-9-3-5-11(6-4-9)21(18,19)8-10-2-1-7-20-10/h3-6,10,12H,1-2,7-8H2,(H,16,17)
InChIKeyVHWZJAZVYLKLHQ-UHFFFAOYSA-N
XLogP1.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-N-[4-[[(2R)-oxolan-2-yl]methylsulfonyl]phenyl]butanamide
CID 95175449
3-[[4-(oxolan-2-ylmethylsulfonyl)phenyl]carbamoylamino]propanoic acid
CID 122079855
2-[(4-bromophenyl)sulfonylmethyl]oxolane
CID 15474559
2-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43440399
N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide
CID 163920105
(2S)-N-methyl-1-[2-oxo-2-[4-(oxolan-2-ylmethylsulfonyl)anilino]acetyl]pyrrolidine-2-carboxamide
CID 119039462
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
2-[4-(oxan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43592044
(2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 8007340
(2R)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 8007336
(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane
CID 94149671
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide (CID 146090869) is 2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide is O=C(Nc1ccc(S(=O)(=O)CC2CCCO2)cc1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide?
The InChIKey is VHWZJAZVYLKLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4S/c14-12(15)13(17)16-9-3-5-11(6-4-9)21(18,19)8-10-2-1-7-20-10/h3-6,10,12H,1-2,7-8H2,(H,16,17).
What are the key properties of 2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide?
2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide has a molecular weight of 319.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 146090869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).