methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate

C10H11F2NO4S — CID 113257628

IUPACmethyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](C)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO4S/c1-6(10(14)17-2)13-18(15,16)9-7(11)4-3-5-8(9)12/h3-6,13H,1-2H3/t6-/m1/s1
InChIKeyCVDYUDZWRJKAFE-ZCFIWIBFSA-N
MW279.26 g/mol
LogP0.80
Rot. Bonds4

About methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate

methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate (PubChem CID 113257628) has the molecular formula C10H11F2NO4S and a molecular weight of 279.26 g/mol. Its IUPAC name is methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
PubChem CID113257628
Molecular FormulaC10H11F2NO4S
Molecular Weight279.26 g/mol
Exact Mass279.04
IUPAC Namemethyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](C)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO4S/c1-6(10(14)17-2)13-18(15,16)9-7(11)4-3-5-8(9)12/h3-6,13H,1-2H3/t6-/m1/s1
InChIKeyCVDYUDZWRJKAFE-ZCFIWIBFSA-N
XLogP0.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoate
CID 25039001
methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 61141689
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126
(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-2-phenylacetamide
CID 94579625
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696
(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 78975684
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
[(2,6-difluorophenyl)sulfonylamino]urea
CID 140574542
methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate
CID 8501038

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate?
The IUPAC name of methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate (CID 113257628) is methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate is COC(=O)[C@@H](C)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate?
The InChIKey is CVDYUDZWRJKAFE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11F2NO4S/c1-6(10(14)17-2)13-18(15,16)9-7(11)4-3-5-8(9)12/h3-6,13H,1-2H3/t6-/m1/s1.
What are the key properties of methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate?
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate has a molecular weight of 279.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 113257628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).