ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate

C17H25F3NO7PS — CID 7164469

IUPACethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate
SMILESCCOC(=O)[C@](NS(=O)(=O)c1ccccc1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C17H25F3NO7PS/c1-6-26-15(22)16(17(18,19)20,29(23,27-12(2)3)28-13(4)5)21-30(24,25)14-10-8-7-9-11-14/h7-13,21H,6H2,1-5H3/t16-/m1/s1
InChIKeyZPZRFAPPQBGHPD-MRXNPFEDSA-N
MW475.42 g/mol
LogP3.83
Rot. Bonds10

About ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate

ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate (PubChem CID 7164469) has the molecular formula C17H25F3NO7PS and a molecular weight of 475.42 g/mol. Its IUPAC name is ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate
PubChem CID7164469
Molecular FormulaC17H25F3NO7PS
Molecular Weight475.42 g/mol
Exact Mass475.10
IUPAC Nameethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate
SMILESCCOC(=O)[C@](NS(=O)(=O)c1ccccc1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C17H25F3NO7PS/c1-6-26-15(22)16(17(18,19)20,29(23,27-12(2)3)28-13(4)5)21-30(24,25)14-10-8-7-9-11-14/h7-13,21H,6H2,1-5H3/t16-/m1/s1
InChIKeyZPZRFAPPQBGHPD-MRXNPFEDSA-N
XLogP3.83
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate with MolForge

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Related Compounds

methyl (2R)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 28887754
ethyl (2R)-2-benzamido-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate
CID 7037347
ethyl 2-bis(ethylperoxy)phosphoryl-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 91872802
ethyl 2-amino-2-(benzenesulfonamido)propanoate
CID 57069494
ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 3670709
ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(3-fluoroanilino)propanoate
CID 4151094
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)butanoate
CID 5248244
ethyl 3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]-2-phenylmethoxypropanoate
CID 3567506
ethyl (2S)-2-(benzylsulfanylmethyl)-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 101442419
ethyl 2-(benzenesulfonyl)-2-fluoro-3-oxobutanoate
CID 15685356
methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate
CID 3464263
ethyl (2R)-3-methylidene-2-[(4-methylphenyl)sulfonylamino]-4-oxo-2-phenylhexanoate
CID 134949166

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate?
The IUPAC name of ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate (CID 7164469) is ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate.
What is the SMILES notation for ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate?
The canonical SMILES for ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate is CCOC(=O)[C@](NS(=O)(=O)c1ccccc1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate?
The InChIKey is ZPZRFAPPQBGHPD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25F3NO7PS/c1-6-26-15(22)16(17(18,19)20,29(23,27-12(2)3)28-13(4)5)21-30(24,25)14-10-8-7-9-11-14/h7-13,21H,6H2,1-5H3/t16-/m1/s1.
What are the key properties of ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate?
ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate has a molecular weight of 475.42 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate is sourced from PubChem (CID 7164469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).