2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide

C12H16F2N2O3S — CID 122142219

IUPAC2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide
SMILESCCCS(=O)(=O)Nc1cc(NC(=O)C(F)F)ccc1C
InChIInChI=1S/C12H16F2N2O3S/c1-3-6-20(18,19)16-10-7-9(5-4-8(10)2)15-12(17)11(13)14/h4-5,7,11,16H,3,6H2,1-2H3,(H,15,17)
InChIKeyFCXAVZXLDGAIBJ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.35
Rot. Bonds6

About 2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide

2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide (PubChem CID 122142219) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide
PubChem CID122142219
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide
SMILESCCCS(=O)(=O)Nc1cc(NC(=O)C(F)F)ccc1C
InChIInChI=1S/C12H16F2N2O3S/c1-3-6-20(18,19)16-10-7-9(5-4-8(10)2)15-12(17)11(13)14/h4-5,7,11,16H,3,6H2,1-2H3,(H,15,17)
InChIKeyFCXAVZXLDGAIBJ-UHFFFAOYSA-N
XLogP2.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513291
N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
CID 62103601
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
(2S)-N-(3-acetamido-4-methylphenyl)-2-aminobutanamide
CID 79024532
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
4-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513243
2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 16783174
N-(3-acetamido-4-methylphenyl)-2-bromobutanamide
CID 55125591
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide (CID 122142219) is 2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide is CCCS(=O)(=O)Nc1cc(NC(=O)C(F)F)ccc1C.
What is the InChIKey of 2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The InChIKey is FCXAVZXLDGAIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-3-6-20(18,19)16-10-7-9(5-4-8(10)2)15-12(17)11(13)14/h4-5,7,11,16H,3,6H2,1-2H3,(H,15,17).
What are the key properties of 2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide?
2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide has a molecular weight of 306.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 122142219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).