propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate

C12H15F2NO4S — CID 47121963

IUPACpropan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate
SMILESCC(C)OC(=O)CCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO4S/c1-8(2)19-11(16)6-7-15-20(17,18)12-9(13)4-3-5-10(12)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyUDVQGSVEXROJNX-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.58
Rot. Bonds6

About propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate

propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate (PubChem CID 47121963) has the molecular formula C12H15F2NO4S and a molecular weight of 307.32 g/mol. Its IUPAC name is propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate
PubChem CID47121963
Molecular FormulaC12H15F2NO4S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC Namepropan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate
SMILESCC(C)OC(=O)CCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO4S/c1-8(2)19-11(16)6-7-15-20(17,18)12-9(13)4-3-5-10(12)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyUDVQGSVEXROJNX-UHFFFAOYSA-N
XLogP1.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate
CID 47121966
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate
CID 7956730
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46595987
2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 9301380
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 113257628
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate?
The IUPAC name of propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate (CID 47121963) is propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate is CC(C)OC(=O)CCNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate?
The InChIKey is UDVQGSVEXROJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4S/c1-8(2)19-11(16)6-7-15-20(17,18)12-9(13)4-3-5-10(12)14/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate?
propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate has a molecular weight of 307.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 47121963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).