2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate

C18H14NO4S- — CID 5210543

IUPAC2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
SMILESO=C([O-])C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H15NO4S/c20-18(21)17(14-7-2-1-3-8-14)19-24(22,23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H,(H,20,21)/p-1
InChIKeyUDTRIHNSADWKRA-UHFFFAOYSA-M
MW340.38 g/mol
LogP1.61
Rot. Bonds5

About 2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate

2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate (PubChem CID 5210543) has the molecular formula C18H14NO4S- and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate.

Molecular Properties

Compound Name2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
PubChem CID5210543
Molecular FormulaC18H14NO4S-
Molecular Weight340.38 g/mol
Exact Mass340.06
IUPAC Name2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
SMILESO=C([O-])C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H15NO4S/c20-18(21)17(14-7-2-1-3-8-14)19-24(22,23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H,(H,20,21)/p-1
InChIKeyUDTRIHNSADWKRA-UHFFFAOYSA-M
XLogP1.61
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate
CID 7375485
2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4110803
(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 1083656
(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
CID 6942072
(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate
CID 6973917
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate?
The IUPAC name of 2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate (CID 5210543) is 2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate.
What is the SMILES notation for 2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate?
The canonical SMILES for 2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate is O=C([O-])C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate?
The InChIKey is UDTRIHNSADWKRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15NO4S/c20-18(21)17(14-7-2-1-3-8-14)19-24(22,23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H,(H,20,21)/p-1.
What are the key properties of 2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate?
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate has a molecular weight of 340.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate is sourced from PubChem (CID 5210543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).