N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide

C12H14F2N2O3S — CID 96958789

IUPACN-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1F
InChIInChI=1S/C12H14F2N2O3S/c1-15-20(18,19)6-11(17)16-10-5-8(10)7-3-2-4-9(13)12(7)14/h2-4,8,10,15H,5-6H2,1H3,(H,16,17)/t8-,10-/m1/s1
InChIKeyGDFINXVOAHELGV-PSASIEDQSA-N
MW304.32 g/mol
LogP0.49
Rot. Bonds5

About N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide

N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide (PubChem CID 96958789) has the molecular formula C12H14F2N2O3S and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide
PubChem CID96958789
Molecular FormulaC12H14F2N2O3S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC NameN-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1F
InChIInChI=1S/C12H14F2N2O3S/c1-15-20(18,19)6-11(17)16-10-5-8(10)7-3-2-4-9(13)12(7)14/h2-4,8,10,15H,5-6H2,1H3,(H,16,17)/t8-,10-/m1/s1
InChIKeyGDFINXVOAHELGV-PSASIEDQSA-N
XLogP0.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
CID 96967900
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527477
N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 97226436
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 98848171
N-(diethylsulfamoyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 154749510
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119237113
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689
6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine
CID 95781704
trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 97076598
1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea
CID 111104275
4-(2-cyanophenyl)-N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-1,4-diazepane-1-carboxamide
CID 99812582
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359291

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide (CID 96958789) is N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1F.
What is the InChIKey of N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide?
The InChIKey is GDFINXVOAHELGV-PSASIEDQSA-N. The full InChI is InChI=1S/C12H14F2N2O3S/c1-15-20(18,19)6-11(17)16-10-5-8(10)7-3-2-4-9(13)12(7)14/h2-4,8,10,15H,5-6H2,1H3,(H,16,17)/t8-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide?
N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide has a molecular weight of 304.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 96958789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).