ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate

C17H19NO5S — CID 7375482

IUPACethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)[C@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H19NO5S/c1-2-23-17(20)15(16(19)13-9-5-3-6-10-13)18-24(21,22)14-11-7-4-8-12-14/h3-12,15-16,18-19H,2H2,1H3/t15-,16+/m1/s1
InChIKeySFTPHQUCSVXNFE-CVEARBPZSA-N
MW349.41 g/mol
LogP1.63
Rot. Bonds7

About ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate

ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate (PubChem CID 7375482) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
PubChem CID7375482
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Nameethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)[C@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H19NO5S/c1-2-23-17(20)15(16(19)13-9-5-3-6-10-13)18-24(21,22)14-11-7-4-8-12-14/h3-12,15-16,18-19H,2H2,1H3/t15-,16+/m1/s1
InChIKeySFTPHQUCSVXNFE-CVEARBPZSA-N
XLogP1.63
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S,3R)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375481
ethyl 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate
CID 4533317
ethyl 2-(benzenesulfonamido)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 139746749
tetradecyl 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3751580
tetradecyl (2R,3R)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 98199461
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
(2S,3S)-2-[(3-aminophenyl)sulfonylamino]-3-hydroxy-3-phenylpropanoic acid
CID 40547562
tetradecyl (2R,3S)-3-hydroxy-2-[(9-oxofluoren-2-yl)sulfonylamino]-3-phenylpropanoate
CID 44660523
ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride
CID 18664309
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
ethyl 2-[benzenesulfonamido(phenyl)methyl]but-3-enoate
CID 11279844
ethyl 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-phenylpent-4-ynoate
CID 15533210

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate?
The IUPAC name of ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate (CID 7375482) is ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate is CCOC(=O)[C@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate?
The InChIKey is SFTPHQUCSVXNFE-CVEARBPZSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-2-23-17(20)15(16(19)13-9-5-3-6-10-13)18-24(21,22)14-11-7-4-8-12-14/h3-12,15-16,18-19H,2H2,1H3/t15-,16+/m1/s1.
What are the key properties of ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate?
ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate has a molecular weight of 349.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 7375482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).