(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate

C19H16NO5S- — CID 7375485

IUPAC(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate
SMILESO=C([O-])[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H17NO5S/c21-18(14-7-2-1-3-8-14)17(19(22)23)20-26(24,25)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17-18,20-21H,(H,22,23)/p-1/t17-,18+/m1/s1
InChIKeyHNRPARUHQYYJCO-MSOLQXFVSA-M
MW370.41 g/mol
LogP0.97
Rot. Bonds6

About (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate

(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate (PubChem CID 7375485) has the molecular formula C19H16NO5S- and a molecular weight of 370.41 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate
PubChem CID7375485
Molecular FormulaC19H16NO5S-
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Name(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate
SMILESO=C([O-])[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H17NO5S/c21-18(14-7-2-1-3-8-14)17(19(22)23)20-26(24,25)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17-18,20-21H,(H,22,23)/p-1/t17-,18+/m1/s1
InChIKeyHNRPARUHQYYJCO-MSOLQXFVSA-M
XLogP0.97
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 1083656
ethyl 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate
CID 4533317
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4110803
(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
(2S,3S)-2-[(3-aminophenyl)sulfonylamino]-3-hydroxy-3-phenylpropanoic acid
CID 40547562
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate?
The IUPAC name of (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate (CID 7375485) is (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate?
The canonical SMILES for (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate is O=C([O-])[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate?
The InChIKey is HNRPARUHQYYJCO-MSOLQXFVSA-M. The full InChI is InChI=1S/C19H17NO5S/c21-18(14-7-2-1-3-8-14)17(19(22)23)20-26(24,25)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17-18,20-21H,(H,22,23)/p-1/t17-,18+/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate?
(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate has a molecular weight of 370.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate is sourced from PubChem (CID 7375485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).