(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid

C19H17NO5S — CID 1083656

IUPAC(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid
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)/t17-,18+/m1/s1
InChIKeyHNRPARUHQYYJCO-MSOLQXFVSA-N
MW371.41 g/mol
LogP2.30
Rot. Bonds6

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

(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid (PubChem CID 1083656) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid
PubChem CID1083656
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid
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)/t17-,18+/m1/s1
InChIKeyHNRPARUHQYYJCO-MSOLQXFVSA-N
XLogP2.30
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate
CID 7375485
ethyl 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate
CID 4533317
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
(2S,3S)-2-[(3-aminophenyl)sulfonylamino]-3-hydroxy-3-phenylpropanoic acid
CID 40547562
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid?
The IUPAC name of (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid (CID 1083656) is (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid 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-phenylpropanoic acid?
The InChIKey is HNRPARUHQYYJCO-MSOLQXFVSA-N. 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)/t17-,18+/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid?
(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid has a molecular weight of 371.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 1083656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).