[(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid

C17H20ClN2O6PS — CID 59898512

IUPAC[(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)N[C@@H](C)P(=O)(O)O
InChIInChI=1S/C17H20ClN2O6PS/c1-11(17(21)19-12(2)27(22,23)24)20-28(25,26)16-9-5-14(6-10-16)13-3-7-15(18)8-4-13/h3-12,20H,1-2H3,(H,19,21)(H2,22,23,24)/t11-,12+/m0/s1
InChIKeyUSUIAVMNPZARAK-NWDGAFQWSA-N
MW446.85 g/mol
LogP2.31
Rot. Bonds7

About [(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid

[(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid (PubChem CID 59898512) has the molecular formula C17H20ClN2O6PS and a molecular weight of 446.85 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid
PubChem CID59898512
Molecular FormulaC17H20ClN2O6PS
Molecular Weight446.85 g/mol
Exact Mass446.05
IUPAC Name[(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)N[C@@H](C)P(=O)(O)O
InChIInChI=1S/C17H20ClN2O6PS/c1-11(17(21)19-12(2)27(22,23)24)20-28(25,26)16-9-5-14(6-10-16)13-3-7-15(18)8-4-13/h3-12,20H,1-2H3,(H,19,21)(H2,22,23,24)/t11-,12+/m0/s1
InChIKeyUSUIAVMNPZARAK-NWDGAFQWSA-N
XLogP2.31
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.85
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30403950
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30403963
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 55347203
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
4-chloro-N-[(2S)-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 34963656
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid?
The IUPAC name of [(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid (CID 59898512) is [(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid?
The canonical SMILES for [(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid is C[C@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)N[C@@H](C)P(=O)(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid?
The InChIKey is USUIAVMNPZARAK-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H20ClN2O6PS/c1-11(17(21)19-12(2)27(22,23)24)20-28(25,26)16-9-5-14(6-10-16)13-3-7-15(18)8-4-13/h3-12,20H,1-2H3,(H,19,21)(H2,22,23,24)/t11-,12+/m0/s1.
What are the key properties of [(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid?
[(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid has a molecular weight of 446.85 g/mol, XLogP of 2.31, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid is sourced from PubChem (CID 59898512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).