2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide

C13H17F2NO3S — CID 84586609

IUPAC2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide
SMILESCC(C)(C)CS(=O)(=O)NC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C13H17F2NO3S/c1-13(2,3)8-20(18,19)16-12(17)7-9-10(14)5-4-6-11(9)15/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyNKPZQCLEGOQXAT-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.00
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide

2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide (PubChem CID 84586609) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide
PubChem CID84586609
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide
SMILESCC(C)(C)CS(=O)(=O)NC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C13H17F2NO3S/c1-13(2,3)8-20(18,19)16-12(17)7-9-10(14)5-4-6-11(9)15/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyNKPZQCLEGOQXAT-UHFFFAOYSA-N
XLogP2.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Reparixin
CID 9838712
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CID 11414892
N-(benzenesulfonyl)-2-(4-fluorophenyl)acetamide
CID 47108695
2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 56680357
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
2-(4-isobutylphenyl)-N-(methylsulfonyl)propanamide
CID 6433115
N-(phenylacetyl)trifluoromethanesulfonamide
CID 10038595
(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11255697
(2R)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11267195
sulfophenyl acetic Amide
CID 23199431
N-methylsulfonyl-3-phenylpropanamide
CID 47232700
2-methyl-N-(2-phenylethylsulfonyl)propanamide
CID 53593264

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide (CID 84586609) is 2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide is CC(C)(C)CS(=O)(=O)NC(=O)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide?
The InChIKey is NKPZQCLEGOQXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-13(2,3)8-20(18,19)16-12(17)7-9-10(14)5-4-6-11(9)15/h4-6H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide?
2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide has a molecular weight of 305.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide is sourced from PubChem (CID 84586609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).