[(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate

C16H14F2N2O7S — CID 141028051

IUPAC[(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate
SMILESC[C@H](COC(=O)Oc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O7S/c1-10(19-28(24,25)15-8-11(17)2-7-14(15)18)9-26-16(21)27-13-5-3-12(4-6-13)20(22)23/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyJHXGXUQEPGTTOS-SNVBAGLBSA-N
MW416.36 g/mol
LogP2.76
Rot. Bonds7

About [(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate

[(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate (PubChem CID 141028051) has the molecular formula C16H14F2N2O7S and a molecular weight of 416.36 g/mol. Its IUPAC name is [(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate.

Molecular Properties

Compound Name[(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate
PubChem CID141028051
Molecular FormulaC16H14F2N2O7S
Molecular Weight416.36 g/mol
Exact Mass416.05
IUPAC Name[(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate
SMILESC[C@H](COC(=O)Oc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O7S/c1-10(19-28(24,25)15-8-11(17)2-7-14(15)18)9-26-16(21)27-13-5-3-12(4-6-13)20(22)23/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyJHXGXUQEPGTTOS-SNVBAGLBSA-N
XLogP2.76
TPSA124.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
N-(1-cyanopropan-2-yl)-2-fluoro-5-nitrobenzenesulfonamide
CID 62092809
(4-nitrophenoxy)carbonyloxymethyl 2-methylpropanoate
CID 18475374
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid
CID 54991572
4-fluoro-N-(1-hydroxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 43502280
3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934796
(2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104965162
N-(1,3-dihydroxypropan-2-yl)-2-fluoro-5-nitrobenzenesulfonamide
CID 65314454
N-[(2R)-1-aminopropan-2-yl]-4-fluoro-2-nitrobenzenesulfonamide
CID 98542426
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide
CID 62156801
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzenesulfonamide
CID 106156998

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate?
The IUPAC name of [(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate (CID 141028051) is [(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate.
What is the SMILES notation for [(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate?
The canonical SMILES for [(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate is C[C@H](COC(=O)Oc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of [(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate?
The InChIKey is JHXGXUQEPGTTOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14F2N2O7S/c1-10(19-28(24,25)15-8-11(17)2-7-14(15)18)9-26-16(21)27-13-5-3-12(4-6-13)20(22)23/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of [(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate?
[(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate has a molecular weight of 416.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate is sourced from PubChem (CID 141028051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).